CID 1377510

300817-77-0

Structural Information

Molecular Formula
C17H11ClN2O2S2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3Cl
InChI
InChI=1S/C17H11ClN2O2S2/c18-13-9-5-4-8-12(13)15(21)19-20-16(22)14(24-17(20)23)10-11-6-2-1-3-7-11/h1-10H,(H,19,21)/b14-10-
InChIKey
WTFITOCUXDTJGD-UVTDQMKNSA-N
Compound name
N-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

373.99506 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00234 182.8
[M+Na]+ 396.98428 195.4
[M+NH4]+ 392.02888 190.7
[M+K]+ 412.95822 185.4
[M-H]- 372.98778 187.9
[M+Na-2H]- 394.96973 189.5
[M]+ 373.99451 187.1
[M]- 373.99561 187.1
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

patents stripe