CID 404292

Nsc720473

Structural Information

Molecular Formula
C17H13Cl2N3O3
SMILES
CC1=CC=CC=C1NC(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C
InChI
InChI=1S/C17H13Cl2N3O3/c1-9-5-3-4-6-13(9)20-17(23)16-10(2)21(24)14-7-11(18)12(19)8-15(14)22(16)25/h3-8H,1-2H3,(H,20,23)
InChIKey
KCIZSJPSZAJMCW-UHFFFAOYSA-N
Compound name
6,7-dichloro-3-methyl-N-(2-methylphenyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

377.0334 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.04068 184.1
[M+Na]+ 400.02262 194.9
[M-H]- 376.02612 187.6
[M+NH4]+ 395.06722 194.8
[M+K]+ 415.99656 183.3
[M+H-H2O]+ 360.03066 180.8
[M+HCOO]- 422.03160 194.2
[M+CH3COO]- 436.04725 209.8
[M+Na-2H]- 398.00807 188.2
[M]+ 377.03285 187.5
[M]- 377.03395 187.5
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

No patent data available for this compound.