Analyte Name

6'-Guanidinonaltrindole Ditrifluoroacetate

CAS Number

350800-03-2

Molecular Formula

C27H29N5O3 • 2C2HF3O2

Molecular Weight

471.56211402

Measured Value

1 mg/mL

Accurate Mass

699.2128

SMILES

NC(NC1=CC2=C(C(C3)=C(N2)[C@]4([H])OC5=C(C=CC6=C5[C@]4(CCN7CC8CC8)[C@]3(O)[C@H]7C6)O)C=C1)=N.O=C(C(F)(F)F)O.O=C(C(F)(F)F)O

InChI

InChI=1S/C27H29N5O3.2C2HF3O2/c28-25(29)30-15-4-5-16-17-11-27(34)20-9-14-3-6-19(33)23-21(14)26(27,7-8-32(20)12-13-1-2-13)24(35-23)22(17)31-18(16)10-15;2*3-2(4,5)1(6)7/h3-6,10,13,20,24,31,33-34H,1-2,7-9,11-12H2,(H4,28,29,30);2*(H,6,7)/t20-,24+,26+,27-;;/m1../s1

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile