CID 1955741

(5z)-3-benzyl-5-(4-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H12FNOS2
SMILES
C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=S
InChI
InChI=1S/C17H12FNOS2/c18-14-8-6-12(7-9-14)10-15-16(20)19(17(21)22-15)11-13-4-2-1-3-5-13/h1-10H,11H2/b15-10-
InChIKey
MUUILCQFINAZTE-GDNBJRDFSA-N
Compound name
(5Z)-3-benzyl-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.03442 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.04170 172.4
[M+Na]+ 352.02364 182.7
[M-H]- 328.02714 179.9
[M+NH4]+ 347.06824 188.1
[M+K]+ 367.99758 174.3
[M+H-H2O]+ 312.03168 164.6
[M+HCOO]- 374.03262 183.5
[M+CH3COO]- 388.04827 183.4
[M+Na-2H]- 350.00909 168.7
[M]+ 329.03387 172.0
[M]- 329.03497 172.0
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.