CID 57358990

89695-36-3

Structural Information

Molecular Formula
C22H24N2O3S2
SMILES
CCN1C=CC(=CC=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)C3=CC=CC=C31
InChI
InChI=1S/C22H24N2O3S2/c1-2-23-15-13-16(17-8-5-6-9-18(17)23)11-12-19-21(27)24(22(28)29-19)14-7-3-4-10-20(25)26/h5-6,8-9,11-13,15H,2-4,7,10,14H2,1H3,(H,25,26)
InChIKey
VIDWBZVRYBTTPU-UHFFFAOYSA-N
Compound name
6-[5-[2-(1-ethylquinolin-4-ylidene)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.12283 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13011 202.5
[M+Na]+ 451.11205 211.8
[M+NH4]+ 446.15665 207.9
[M+K]+ 467.08599 202.5
[M-H]- 427.11555 203.4
[M+Na-2H]- 449.09750 203.2
[M]+ 428.12228 204.7
[M]- 428.12338 204.7
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.