CID 135499253

Nsc647084

Structural Information

Molecular Formula
C23H18ClN5O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C(\C2=NC3=C(C=C(C=C3)Cl)NC2=O)/C(C4=CC(=CC=C4)[N+](=O)[O-])O
InChI
InChI=1S/C23H18ClN5O6S/c1-13-5-8-17(9-6-13)36(34,35)28-27-20(22(30)14-3-2-4-16(11-14)29(32)33)21-23(31)26-19-12-15(24)7-10-18(19)25-21/h2-12,22,28,30H,1H3,(H,26,31)/b27-20+
InChIKey
WZQBTWRGQULAGD-NHFJDJAPSA-N
Compound name
N-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethylidene]amino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

527.06665 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.07393 211.9
[M+Na]+ 550.05587 215.6
[M-H]- 526.05937 218.3
[M+NH4]+ 545.10047 213.5
[M+K]+ 566.02981 205.3
[M+H-H2O]+ 510.06391 206.3
[M+HCOO]- 572.06485 220.7
[M+CH3COO]- 586.08050 236.7
[M+Na-2H]- 548.04132 219.8
[M]+ 527.06610 213.2
[M]- 527.06720 213.2
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.