CID 193984

Cinoquidox

Structural Information

Molecular Formula
C13H12N4O3
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCC#N
InChI
InChI=1S/C13H12N4O3/c1-9-12(13(18)15-8-4-7-14)17(20)11-6-3-2-5-10(11)16(9)19/h2-3,5-6H,4,8H2,1H3,(H,15,18)
InChIKey
NEXBVZAHMLKKIJ-UHFFFAOYSA-N
Compound name
N-(2-cyanoethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

272.09094 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.098216 163.8
[M+Na]+ 295.080158 173.9
[M-H]- 271.083664 163.7
[M+NH4]+ 290.124763 175.5
[M+K]+ 311.054098 164.8
[M+H-H2O]+ 255.088200 153.4
[M+HCOO]- 317.089141 180.2
[M+CH3COO]- 331.104791 202.5
[M+Na-2H]- 293.065606 169.9
[M]+ 272.09039142 158.1
[M]- 272.09148858 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe