CID 1379718

4-thiazolidinone, 5-(o-fluorobenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-

Structural Information

Molecular Formula
C16H17FN2OS2
SMILES
C1CCN(CC1)CN2C(=O)/C(=C/C3=CC=CC=C3F)/SC2=S
InChI
InChI=1S/C16H17FN2OS2/c17-13-7-3-2-6-12(13)10-14-15(20)19(16(21)22-14)11-18-8-4-1-5-9-18/h2-3,6-7,10H,1,4-5,8-9,11H2/b14-10-
InChIKey
UWAMEYNNCRZBFG-UVTDQMKNSA-N
Compound name
(5Z)-5-[(2-fluorophenyl)methylidene]-3-(piperidin-1-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.07663 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.08391 176.7
[M+Na]+ 359.06585 186.9
[M+NH4]+ 354.11045 184.2
[M+K]+ 375.03979 177.3
[M-H]- 335.06935 179.6
[M+Na-2H]- 357.05130 180.6
[M]+ 336.07608 179.6
[M]- 336.07718 179.6
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.