CID 110427

68516-67-6

Structural Information

Molecular Formula
C20H22N2O2S2
SMILES
CCN1C(=CC=C2C(=O)N(C(=S)S2)CC)C=CC3=C1C=CC(=C3)OCC
InChI
InChI=1S/C20H22N2O2S2/c1-4-21-15(9-12-18-19(23)22(5-2)20(25)26-18)8-7-14-13-16(24-6-3)10-11-17(14)21/h7-13H,4-6H2,1-3H3
InChIKey
FGMSIGOWJWPECJ-UHFFFAOYSA-N
Compound name
5-[2-(6-ethoxy-1-ethylquinolin-2-ylidene)ethylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.11227 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.11955 190.6
[M+Na]+ 409.10149 199.8
[M-H]- 385.10499 195.0
[M+NH4]+ 404.14609 204.2
[M+K]+ 425.07543 191.5
[M+H-H2O]+ 369.10953 183.9
[M+HCOO]- 431.11047 197.6
[M+CH3COO]- 445.12612 218.2
[M+Na-2H]- 407.08694 185.1
[M]+ 386.11172 194.0
[M]- 386.11282 194.0
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.