CID 5932025

623935-68-2

Structural Information

Molecular Formula
C24H22ClN3O2S2
SMILES
CCOCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H22ClN3O2S2/c1-2-30-14-6-13-27-23(29)21(32-24(27)31)15-18-16-28(20-7-4-3-5-8-20)26-22(18)17-9-11-19(25)12-10-17/h3-5,7-12,15-16H,2,6,13-14H2,1H3/b21-15-
InChIKey
COWYLLFCXMQDSY-QNGOZBTKSA-N
Compound name
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.0842 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.09148 215.8
[M+Na]+ 506.07342 226.4
[M-H]- 482.07692 225.6
[M+NH4]+ 501.11802 225.5
[M+K]+ 522.04736 216.8
[M+H-H2O]+ 466.08146 207.9
[M+HCOO]- 528.08240 221.3
[M+CH3COO]- 542.09805 224.2
[M+Na-2H]- 504.05887 207.0
[M]+ 483.08365 222.2
[M]- 483.08475 222.2
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.