CID 16429048

623936-16-3

Structural Information

Molecular Formula
C23H20FN3OS2
SMILES
CCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)C)F)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C23H20FN3OS2/c1-3-11-26-22(28)20(30-23(26)29)13-17-14-27(18-7-5-4-6-8-18)25-21(17)16-10-9-15(2)19(24)12-16/h4-10,12-14H,3,11H2,1-2H3/b20-13-
InChIKey
SISSPFMWCRUHQM-MOSHPQCFSA-N
Compound name
(5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.10318 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11046 206.0
[M+Na]+ 460.09240 219.2
[M+NH4]+ 455.13700 212.5
[M+K]+ 476.06634 210.1
[M-H]- 436.09590 210.6
[M+Na-2H]- 458.07785 211.6
[M]+ 437.10263 210.0
[M]- 437.10373 210.0
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.