CID 2063716

299907-87-2

Structural Information

Molecular Formula
C21H14ClNO2S2
SMILES
C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)Cl)/SC2=S
InChI
InChI=1S/C21H14ClNO2S2/c22-16-8-4-7-15(11-16)18-10-9-17(25-18)12-19-20(24)23(21(26)27-19)13-14-5-2-1-3-6-14/h1-12H,13H2/b19-12-
InChIKey
PSFHZPBXYLEBIS-UNOMPAQXSA-N
Compound name
(5Z)-3-benzyl-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.01544 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.02272 193.8
[M+Na]+ 434.00466 209.1
[M+NH4]+ 429.04926 202.7
[M+K]+ 449.97860 199.2
[M-H]- 410.00816 202.3
[M+Na-2H]- 431.99011 201.4
[M]+ 411.01489 199.8
[M]- 411.01599 199.8
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.