CID 504719

2-quinoxalinecarboxamide, 7-chloro-3-methyl-n-(2-methylphenyl)-, 1,4-dioxide

Structural Information

Molecular Formula
C17H14ClN3O3
SMILES
CC1=CC=CC=C1NC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)Cl)[O-])C
InChI
InChI=1S/C17H14ClN3O3/c1-10-5-3-4-6-13(10)19-17(22)16-11(2)20(23)14-8-7-12(18)9-15(14)21(16)24/h3-9H,1-2H3,(H,19,22)
InChIKey
PWAGWRSMVQXDKE-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-N-(2-methylphenyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.07236 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.07964 178.0
[M+Na]+ 366.06158 188.1
[M-H]- 342.06508 182.3
[M+NH4]+ 361.10618 189.4
[M+K]+ 382.03552 176.9
[M+H-H2O]+ 326.06962 173.9
[M+HCOO]- 388.07056 193.3
[M+CH3COO]- 402.08621 204.3
[M+Na-2H]- 364.04703 183.8
[M]+ 343.07181 179.7
[M]- 343.07291 179.7
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.