CID 6284045

(5z)-5-(4-methylbenzylidene)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H17NO2S2
SMILES
CC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CC3CCCO3
InChI
InChI=1S/C16H17NO2S2/c1-11-4-6-12(7-5-11)9-14-15(18)17(16(20)21-14)10-13-3-2-8-19-13/h4-7,9,13H,2-3,8,10H2,1H3/b14-9-
InChIKey
BZSZTZKQUOLFPJ-ZROIWOOFSA-N
Compound name
(5Z)-5-[(4-methylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.07007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.07735 174.6
[M+Na]+ 342.05929 183.6
[M-H]- 318.06279 184.0
[M+NH4]+ 337.10389 191.4
[M+K]+ 358.03323 178.7
[M+H-H2O]+ 302.06733 169.6
[M+HCOO]- 364.06827 184.9
[M+CH3COO]- 378.08392 185.9
[M+Na-2H]- 340.04474 168.4
[M]+ 319.06952 175.3
[M]- 319.07062 175.3
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.