CID 5925003

623935-65-9

Structural Information

Molecular Formula
C23H20FN3OS2
SMILES
CCC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C23H20FN3OS2/c1-3-15(2)27-22(28)20(30-23(27)29)13-17-14-26(19-7-5-4-6-8-19)25-21(17)16-9-11-18(24)12-10-16/h4-15H,3H2,1-2H3/b20-13-
InChIKey
RXTNFGXKMQIACF-MOSHPQCFSA-N
Compound name
(5Z)-3-butan-2-yl-5-[[3-(4-fluorophenyl)-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

437.10318 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.11046 203.7
[M+Na]+ 460.09240 216.3
[M+NH4]+ 455.13700 210.1
[M+K]+ 476.06634 207.8
[M-H]- 436.09590 208.1
[M+Na-2H]- 458.07785 209.5
[M]+ 437.10263 207.5
[M]- 437.10373 207.5
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.