CID 6517803

356091-99-1

Structural Information

Molecular Formula
C22H20N2OS2
SMILES
CCN1/C(=C/2\C(=O)N(C(=S)S2)CCC3=CC=CC=C3)/C=CC4=CC=CC=C41
InChI
InChI=1S/C22H20N2OS2/c1-2-23-18-11-7-6-10-17(18)12-13-19(23)20-21(25)24(22(26)27-20)15-14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3/b20-19+
InChIKey
ZALIHOWCSGNPMY-FMQUCBEESA-N
Compound name
(5E)-5-(1-ethylquinolin-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

392.1017 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.10898 192.1
[M+Na]+ 415.09092 201.4
[M-H]- 391.09442 199.5
[M+NH4]+ 410.13552 204.9
[M+K]+ 431.06486 192.2
[M+H-H2O]+ 375.09896 184.3
[M+HCOO]- 437.09990 199.9
[M+CH3COO]- 451.11555 201.1
[M+Na-2H]- 413.07637 188.3
[M]+ 392.10115 192.7
[M]- 392.10225 192.7
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.