CID 45053372

(5e)-3-(2-phenylethyl)-2-thioxo-5-[(2e)-2-(1,3,3-trimethyl-1,3-dihydro-2h-indol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C24H24N2OS2
SMILES
CC\1(C2=CC=CC=C2N(/C1=C/C=C/3\C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C)C
InChI
InChI=1S/C24H24N2OS2/c1-24(2)18-11-7-8-12-19(18)25(3)21(24)14-13-20-22(27)26(23(28)29-20)16-15-17-9-5-4-6-10-17/h4-14H,15-16H2,1-3H3/b20-13+,21-14+
InChIKey
BMZQFNCMSYZEPQ-KVVJQUGZSA-N
Compound name
(5E)-3-(2-phenylethyl)-2-sulfanylidene-5-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.133 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14028 201.6
[M+Na]+ 443.12222 213.9
[M+NH4]+ 438.16682 210.8
[M+K]+ 459.09616 202.4
[M-H]- 419.12572 206.2
[M+Na-2H]- 441.10767 207.1
[M]+ 420.13245 205.7
[M]- 420.13355 205.7
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.