Analyte Name

Aeruginascin-d4

Molecular Formula

C13H15D4N2O4P

Molecular Weight

302.3

Accurate Mass

302.13

SMILES

[2H]C([2H])(C([2H])(C1=CNC2=CC=CC(OP([O-])(O)=O)=C21)[2H])[N+](C)(C)C

InChI

InChI=1S/C13H19N2O4P/c1-15(2,3)8-7-10-9-14-11-5-4-6-12(13(10)11)19-20(16,17)18/h4-6,9,14H,7-8H2,1-3H3,(H-,16,17,18)/i7D2,8D2

IUPAC

3-(2-(Trimethylammonio)ethyl-1,1,2,2-d4)-1H-indol-4-yl Hydrogen Phosphate

Unlabelled CAS Number

114264-95-8

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat