CID 504718

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

Structural Information

Molecular Formula
C18H17N3O3
SMILES
CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)NC3=CC=CC=C3C)C)[O-]
InChI
InChI=1S/C18H17N3O3/c1-11-8-9-15-16(10-11)21(24)17(13(3)20(15)23)18(22)19-14-7-5-4-6-12(14)2/h4-10H,1-3H3,(H,19,22)
InChIKey
HREWPTMQOCTTQQ-UHFFFAOYSA-N
Compound name
3,7-dimethyl-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

323.12698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.134256 175.9
[M+Na]+ 346.116198 185.2
[M-H]- 322.119704 180.6
[M+NH4]+ 341.160803 187.4
[M+K]+ 362.090138 175.0
[M+H-H2O]+ 306.124240 171.0
[M+HCOO]- 368.125181 195.5
[M+CH3COO]- 382.140831 203.7
[M+Na-2H]- 344.101646 181.8
[M]+ 323.12643142 175.8
[M]- 323.12752858 175.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.