CID 5929593

356091-71-9

Structural Information

Molecular Formula
C23H22N2OS2
SMILES
CCN\1C2=C(C=C/C1=C/3\C(=O)N(C(=S)S3)CCC4=CC=CC=C4)C=C(C=C2)C
InChI
InChI=1S/C23H22N2OS2/c1-3-24-19-11-9-16(2)15-18(19)10-12-20(24)21-22(26)25(23(27)28-21)14-13-17-7-5-4-6-8-17/h4-12,15H,3,13-14H2,1-2H3/b21-20-
InChIKey
DHGQOLAZTODPLY-MRCUWXFGSA-N
Compound name
(5Z)-5-(1-ethyl-6-methylquinolin-2-ylidene)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.11737 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12465 196.3
[M+Na]+ 429.10659 205.9
[M-H]- 405.11009 203.9
[M+NH4]+ 424.15119 208.8
[M+K]+ 445.08053 196.4
[M+H-H2O]+ 389.11463 188.5
[M+HCOO]- 451.11557 203.7
[M+CH3COO]- 465.13122 205.2
[M+Na-2H]- 427.09204 191.5
[M]+ 406.11682 197.7
[M]- 406.11792 197.7
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.