CID 135499259

Nsc647269

Structural Information

Molecular Formula
C23H17N7O9S
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C(\C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)/C(C4=CC=C(C=C4)[N+](=O)[O-])O)S(=O)(=O)N
InChI
InChI=1S/C23H17N7O9S/c24-40(38,39)18-4-2-1-3-15(18)22(32)28-27-19(21(31)12-5-7-13(8-6-12)29(34)35)20-23(33)26-17-11-14(30(36)37)9-10-16(17)25-20/h1-11,21,31H,(H,26,33)(H,28,32)(H2,24,38,39)/b27-19+
InChIKey
GHXAAEBMVRFPGI-ZXVVBBHZSA-N
Compound name
N-[(E)-[2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-2-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.0809 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.08818 210.4
[M+Na]+ 590.07012 208.0
[M-H]- 566.07362 215.5
[M+NH4]+ 585.11472 206.7
[M+K]+ 606.04406 196.5
[M+H-H2O]+ 550.07816 207.1
[M+HCOO]- 612.07910 222.9
[M+CH3COO]- 626.09475 239.4
[M+Na-2H]- 588.05557 245.7
[M]+ 567.08035 204.5
[M]- 567.08145 204.5
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.