CID 504717

Zinc03625517

Structural Information

Molecular Formula
C16H12ClN3O3
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)NC3=CC=CC=C3
InChI
InChI=1S/C16H12ClN3O3/c1-10-15(16(21)18-12-5-3-2-4-6-12)20(23)14-9-11(17)7-8-13(14)19(10)22/h2-9H,1H3,(H,18,21)
InChIKey
HWEGWBXXAFKFNZ-UHFFFAOYSA-N
Compound name
7-chloro-3-methyl-4-oxido-1-oxo-N-phenylquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.05673 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.06401 172.9
[M+Na]+ 352.04595 182.5
[M-H]- 328.04945 177.0
[M+NH4]+ 347.09055 184.6
[M+K]+ 368.01989 171.5
[M+H-H2O]+ 312.05399 168.7
[M+HCOO]- 374.05493 188.6
[M+CH3COO]- 388.07058 200.1
[M+Na-2H]- 350.03140 179.9
[M]+ 329.05618 173.9
[M]- 329.05728 173.9
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.