CID 6478144

3-nitro-n-[(5e)-4-oxo-5-[[4-[(e)-styryl]phenyl]methylene]-2-thioxo-thiazolidin-3-yl]benzenesulfonamide

Structural Information

Molecular Formula
C24H17N3O5S3
SMILES
C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]
InChI
InChI=1S/C24H17N3O5S3/c28-23-22(15-19-13-11-18(12-14-19)10-9-17-5-2-1-3-6-17)34-24(33)26(23)25-35(31,32)21-8-4-7-20(16-21)27(29)30/h1-16,25H/b10-9+,22-15+
InChIKey
XFIYULAJESWRQH-ZPXWLTJHSA-N
Compound name
3-nitro-N-[(5E)-4-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

523.033 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.04028 223.6
[M+Na]+ 546.02222 227.8
[M-H]- 522.02572 232.6
[M+NH4]+ 541.06682 228.1
[M+K]+ 561.99616 212.8
[M+H-H2O]+ 506.03026 218.8
[M+HCOO]- 568.03120 229.7
[M+CH3COO]- 582.04685 231.1
[M+Na-2H]- 544.00767 225.8
[M]+ 523.03245 219.4
[M]- 523.03355 219.4
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.