CID 16429046

623936-12-9

Structural Information

Molecular Formula
C24H22FN3OS2
SMILES
CCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H22FN3OS2/c1-3-4-12-27-23(29)21(31-24(27)30)14-18-15-28(19-8-6-5-7-9-19)26-22(18)17-11-10-16(2)20(25)13-17/h5-11,13-15H,3-4,12H2,1-2H3/b21-14-
InChIKey
XQQXBROYFHXQRT-STZFKDTASA-N
Compound name
(5Z)-3-butyl-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.11884 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.12612 210.0
[M+Na]+ 474.10806 223.1
[M+NH4]+ 469.15266 216.4
[M+K]+ 490.08200 213.7
[M-H]- 450.11156 214.6
[M+Na-2H]- 472.09351 215.4
[M]+ 451.11829 214.0
[M]- 451.11939 214.0
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.