CID 6478112

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

Structural Information

Molecular Formula
C17H14N2O4S3
SMILES
COC1=CC=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C17H14N2O4S3/c1-23-13-7-5-6-12(10-13)11-15-16(20)19(17(24)25-15)18-26(21,22)14-8-3-2-4-9-14/h2-11,18H,1H3/b15-11+
InChIKey
XSUKZFUCDAUDNK-RVDMUPIBSA-N
Compound name
N-[(5E)-5-[(3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.01157 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.01885 194.2
[M+Na]+ 429.00079 202.8
[M-H]- 405.00429 201.4
[M+NH4]+ 424.04539 205.5
[M+K]+ 444.97473 193.8
[M+H-H2O]+ 389.00883 187.5
[M+HCOO]- 451.00977 200.8
[M+CH3COO]- 465.02542 216.6
[M+Na-2H]- 426.98624 193.7
[M]+ 406.01102 195.4
[M]- 406.01212 195.4
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.