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
2
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]+ 387.119546 190.6
[M+Na]+ 409.101488 199.8
[M-H]- 385.104994 195.0
[M+NH4]+ 404.146093 204.2
[M+K]+ 425.075428 191.5
[M+H-H2O]+ 369.109530 183.9
[M+HCOO]- 431.110471 197.6
[M+CH3COO]- 445.126121 218.2
[M+Na-2H]- 407.086936 185.1
[M]+ 386.11172142 194.0
[M]- 386.11281858 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.