CID 1729287

3-cyclohexyl-5-(1-ethyl-2(1h)-quinolinylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C20H22N2OS2
SMILES
CCN1/C(=C/2\C(=O)N(C(=S)S2)C3CCCCC3)/C=CC4=CC=CC=C41
InChI
InChI=1S/C20H22N2OS2/c1-2-21-16-11-7-6-8-14(16)12-13-17(21)18-19(23)22(20(24)25-18)15-9-4-3-5-10-15/h6-8,11-13,15H,2-5,9-10H2,1H3/b18-17+
InChIKey
QSAOJMBUFPYATO-ISLYRVAYSA-N
Compound name
(5E)-3-cyclohexyl-5-(1-ethylquinolin-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.11737 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12465 186.4
[M+Na]+ 393.10659 193.5
[M-H]- 369.11009 192.9
[M+NH4]+ 388.15119 199.8
[M+K]+ 409.08053 185.5
[M+H-H2O]+ 353.11463 179.0
[M+HCOO]- 415.11557 190.7
[M+CH3COO]- 429.13122 194.7
[M+Na-2H]- 391.09204 181.0
[M]+ 370.11682 182.5
[M]- 370.11792 182.5
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.