CID 5654976

Schembl29394236

Structural Information

Molecular Formula
C20H12ClNO2S2
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)Cl)/SC2=S
InChI
InChI=1S/C20H12ClNO2S2/c21-14-6-4-5-13(11-14)17-10-9-16(24-17)12-18-19(23)22(20(25)26-18)15-7-2-1-3-8-15/h1-12H/b18-12-
InChIKey
VZGFLHZMDBUJBM-PDGQHHTCSA-N
Compound name
(5Z)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

396.9998 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.00708 194.4
[M+Na]+ 419.98902 206.7
[M-H]- 395.99252 208.1
[M+NH4]+ 415.03362 209.0
[M+K]+ 435.96296 199.1
[M+H-H2O]+ 379.99706 189.2
[M+HCOO]- 441.99800 203.2
[M+CH3COO]- 456.01365 205.9
[M+Na-2H]- 417.97447 188.7
[M]+ 396.99925 199.1
[M]- 397.00035 199.1
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