CID 1237846

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

Structural Information

Molecular Formula
C18H15NOS2
SMILES
CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3
InChI
InChI=1S/C18H15NOS2/c1-13-7-9-14(10-8-13)11-16-17(20)19(18(21)22-16)12-15-5-3-2-4-6-15/h2-11H,12H2,1H3/b16-11+
InChIKey
ADTNPZGLVFOSSP-LFIBNONCSA-N
Compound name
(5E)-3-benzyl-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.0595 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.06678 174.4
[M+Na]+ 348.04872 184.2
[M-H]- 324.05222 183.1
[M+NH4]+ 343.09332 190.3
[M+K]+ 364.02266 176.1
[M+H-H2O]+ 308.05676 167.4
[M+HCOO]- 370.05770 186.2
[M+CH3COO]- 384.07335 185.5
[M+Na-2H]- 346.03417 170.7
[M]+ 325.05895 175.2
[M]- 325.06005 175.2
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.