CID 3866497

618074-32-1

Structural Information

Molecular Formula
C20H14FNO2S2
SMILES
C1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F
InChI
InChI=1S/C20H14FNO2S2/c21-16-7-5-13(6-8-16)11-22-19(23)18(26-20(22)25)10-14-9-15-3-1-2-4-17(15)24-12-14/h1-10H,11-12H2
InChIKey
CWSILSUGWFZSGL-UHFFFAOYSA-N
Compound name
5-(2H-chromen-3-ylmethylidene)-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.045 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.05228 186.1
[M+Na]+ 406.03422 199.7
[M+NH4]+ 401.07882 194.4
[M+K]+ 422.00816 189.0
[M-H]- 382.03772 192.0
[M+Na-2H]- 404.01967 191.7
[M]+ 383.04445 190.7
[M]- 383.04555 190.7
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.