CID 5911211

3-(2-chlorobenzyl)-5-(2h-chromen-3-ylmethylene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C20H14ClNO2S2
SMILES
C1C(=CC2=CC=CC=C2O1)/C=C\3/C(=O)N(C(=S)S3)CC4=CC=CC=C4Cl
InChI
InChI=1S/C20H14ClNO2S2/c21-16-7-3-1-6-15(16)11-22-19(23)18(26-20(22)25)10-13-9-14-5-2-4-8-17(14)24-12-13/h1-10H,11-12H2/b18-10-
InChIKey
PFTRJNCEHZFABT-ZDLGFXPLSA-N
Compound name
(5Z)-3-[(2-chlorophenyl)methyl]-5-(2H-chromen-3-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.01544 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.02272 191.0
[M+Na]+ 422.00466 201.7
[M-H]- 398.00816 201.0
[M+NH4]+ 417.04926 204.5
[M+K]+ 437.97860 193.8
[M+H-H2O]+ 382.01270 185.1
[M+HCOO]- 444.01364 195.8
[M+CH3COO]- 458.02929 201.1
[M+Na-2H]- 419.99011 188.5
[M]+ 399.01489 194.4
[M]- 399.01599 194.4
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.