CID 1976326

623935-61-5

Structural Information

Molecular Formula
C27H20FN3OS2
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C27H20FN3OS2/c1-18-7-9-19(10-8-18)16-30-26(32)24(34-27(30)33)15-21-17-31(23-5-3-2-4-6-23)29-25(21)20-11-13-22(28)14-12-20/h2-15,17H,16H2,1H3/b24-15-
InChIKey
SZPYKADOLVLTME-IWIPYMOSSA-N
Compound name
(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.10318 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.11046 215.0
[M+Na]+ 508.09240 230.3
[M+NH4]+ 503.13700 222.0
[M+K]+ 524.06634 220.1
[M-H]- 484.09590 222.3
[M+Na-2H]- 506.07785 223.8
[M]+ 485.10263 220.2
[M]- 485.10373 220.2
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.