Analyte Name

3-[(4S)-8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoic acid

CAS Number

960305-91-3

Molecular Formula

C20 H17 Br N4 O2

Molecular Weight

425.279

Accurate Mass

424.053

SMILES

Cc1cnc2[C@H](CCC(=O)O)N=C(c3ccccn3)c4cc(Br)ccc4n12

InChI

InChI=1S/C20H17BrN4O2/c1-12-11-23-20-16(6-8-18(26)27)24-19(15-4-2-3-9-22-15)14-10-13(21)5-7-17(14)25(12)20/h2-5,7,9-11,16H,6,8H2,1H3,(H,26,27)/t16-/m0/s1

IUPAC

3-[(4S)-8-bromo-1-methyl-6-pyridin-2-yl-4H-imidazo[1,2-a][1,4]benzodiazepin-4-yl]propanoic acid

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat