CID 16429132

623939-82-2

Structural Information

Molecular Formula
C25H24FN3OS2
SMILES
CCCCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C25H24FN3OS2/c1-3-4-8-13-28-24(30)22(32-25(28)31)15-19-16-29(20-9-6-5-7-10-20)27-23(19)18-12-11-17(2)21(26)14-18/h5-7,9-12,14-16H,3-4,8,13H2,1-2H3/b22-15-
InChIKey
CQMAKJXGWAZGAJ-JCMHNJIXSA-N
Compound name
(5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.1345 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.14178 214.0
[M+Na]+ 488.12372 226.9
[M+NH4]+ 483.16832 220.2
[M+K]+ 504.09766 217.3
[M-H]- 464.12722 218.6
[M+Na-2H]- 486.10917 219.3
[M]+ 465.13395 218.0
[M]- 465.13505 218.0
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.