CID 2029574

3-[(phenylsulfonyl)amino]-5-(3-pyridylmethylene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C15H11N3O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CN=CC=C3)/SC2=S
InChI
InChI=1S/C15H11N3O3S3/c19-14-13(9-11-5-4-8-16-10-11)23-15(22)18(14)17-24(20,21)12-6-2-1-3-7-12/h1-10,17H/b13-9+
InChIKey
XIXDZWZPDINDFE-UKTHLTGXSA-N
Compound name
N-[(5E)-4-oxo-5-(pyridin-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.99625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.00353 186.4
[M+Na]+ 399.98547 195.8
[M-H]- 375.98897 192.6
[M+NH4]+ 395.03007 197.6
[M+K]+ 415.95941 186.4
[M+H-H2O]+ 359.99351 179.6
[M+HCOO]- 421.99445 192.4
[M+CH3COO]- 436.01010 195.1
[M+Na-2H]- 397.97092 186.5
[M]+ 376.99570 185.7
[M]- 376.99680 185.7
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.