CID 6447910

4-thiazolidinone, 5-(m-fluorobenzylidene)-3-(morpholinomethyl)-2-thioxo-

Structural Information

Molecular Formula
C15H15FN2O2S2
SMILES
C1COCCN1CN2C(=O)/C(=C\C3=CC(=CC=C3)F)/SC2=S
InChI
InChI=1S/C15H15FN2O2S2/c16-12-3-1-2-11(8-12)9-13-14(19)18(15(21)22-13)10-17-4-6-20-7-5-17/h1-3,8-9H,4-7,10H2/b13-9+
InChIKey
RJGJDAZZEFKXPX-UKTHLTGXSA-N
Compound name
(5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.0559 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06318 174.5
[M+Na]+ 361.04512 182.5
[M-H]- 337.04862 180.3
[M+NH4]+ 356.08972 186.9
[M+K]+ 377.01906 176.7
[M+H-H2O]+ 321.05316 166.6
[M+HCOO]- 383.05410 180.4
[M+CH3COO]- 397.06975 183.9
[M+Na-2H]- 359.03057 169.6
[M]+ 338.05535 171.6
[M]- 338.05645 171.6
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.