CID 1720469

302824-46-0

Structural Information

Molecular Formula
C16H13NOS3
SMILES
C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CC=CS3)/SC2=S
InChI
InChI=1S/C16H13NOS3/c18-15-14(11-13-7-4-10-20-13)21-16(19)17(15)9-8-12-5-2-1-3-6-12/h1-7,10-11H,8-9H2/b14-11-
InChIKey
LAEQRWPPVPGVRK-KAMYIIQDSA-N
Compound name
(5Z)-3-(2-phenylethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.01593 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.02321 176.4
[M+Na]+ 354.00515 187.3
[M-H]- 330.00865 184.9
[M+NH4]+ 349.04975 194.0
[M+K]+ 369.97909 179.0
[M+H-H2O]+ 314.01319 171.5
[M+HCOO]- 376.01413 184.5
[M+CH3COO]- 390.02978 187.4
[M+Na-2H]- 351.99060 171.0
[M]+ 331.01538 177.5
[M]- 331.01648 177.5
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.