CID 5465075

Nsc633263

Structural Information

Molecular Formula
C13H12N4O5S
SMILES
C/C(=C\1/C=CC=CN1O)/N=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H12N4O5S/c1-10(13-4-2-3-9-16(13)18)14-15-23(21,22)12-7-5-11(6-8-12)17(19)20/h2-9,18H,1H3/b13-10+,15-14?
InChIKey
CSVODTRHJOWRTG-TYZYOCHRSA-N
Compound name
N-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]imino-4-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.05283 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.06011 169.8
[M+Na]+ 359.04205 174.8
[M-H]- 335.04555 176.5
[M+NH4]+ 354.08665 180.9
[M+K]+ 375.01599 167.3
[M+H-H2O]+ 319.05009 165.3
[M+HCOO]- 381.05103 189.6
[M+CH3COO]- 395.06668 204.1
[M+Na-2H]- 357.02750 177.5
[M]+ 336.05228 168.8
[M]- 336.05338 168.8
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.