CID 9561062

6288-08-0

Structural Information

Molecular Formula
C15H13N3O4S
SMILES
C1=CC=C(C=C1)/C=C/C=N/NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O4S/c19-18(20)14-8-10-15(11-9-14)23(21,22)17-16-12-4-7-13-5-2-1-3-6-13/h1-12,17H/b7-4+,16-12+
InChIKey
BWMATZJVVOZBAS-JAFAMXRVSA-N
Compound name
4-nitro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.06268 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.06996 172.2
[M+Na]+ 354.05190 177.2
[M-H]- 330.05540 179.8
[M+NH4]+ 349.09650 184.8
[M+K]+ 370.02584 168.0
[M+H-H2O]+ 314.05994 167.8
[M+HCOO]- 376.06088 194.8
[M+CH3COO]- 390.07653 203.0
[M+Na-2H]- 352.03735 180.4
[M]+ 331.06213 171.7
[M]- 331.06323 171.7
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.