CID 16429248

624724-37-4

Structural Information

Molecular Formula
C23H20ClN3O2S2
SMILES
CC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)Cl)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C23H20ClN3O2S2/c1-14(2)27-22(28)20(31-23(27)30)12-16-13-26(17-7-5-4-6-8-17)25-21(16)15-9-10-19(29-3)18(24)11-15/h4-14H,1-3H3/b20-12-
InChIKey
QEYXIQYNOFFBMY-NDENLUEZSA-N
Compound name
(5Z)-5-[[3-(3-chloro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.06854 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.07582 210.5
[M+Na]+ 492.05776 224.8
[M+NH4]+ 487.10236 217.4
[M+K]+ 508.03170 216.0
[M-H]- 468.06126 216.1
[M+Na-2H]- 490.04321 216.6
[M]+ 469.06799 215.3
[M]- 469.06909 215.3
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.