CID 504716

2-quinoxalinecarboxamide, 3,7-dimethyl-n-phenyl-, 1,4-dioxide

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)NC3=CC=CC=C3)C)[O-]
InChI
InChI=1S/C17H15N3O3/c1-11-8-9-14-15(10-11)20(23)16(12(2)19(14)22)17(21)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)
InChIKey
YPBUGDRZGTYIPT-UHFFFAOYSA-N
Compound name
3,7-dimethyl-4-oxido-1-oxo-N-phenylquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.11133 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 170.9
[M+Na]+ 332.10055 179.8
[M-H]- 308.10405 175.4
[M+NH4]+ 327.14515 182.7
[M+K]+ 348.07449 169.7
[M+H-H2O]+ 292.10859 165.9
[M+HCOO]- 354.10953 190.9
[M+CH3COO]- 368.12518 199.5
[M+Na-2H]- 330.08600 178.1
[M]+ 309.11078 170.0
[M]- 309.11188 170.0
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.