CID 2060655

623936-10-7

Structural Information

Molecular Formula
C21H16FN3OS2
SMILES
CC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C)C4=CC=CC=C4)F
InChI
InChI=1S/C21H16FN3OS2/c1-13-8-9-14(10-17(13)22)19-15(11-18-20(26)24(2)21(27)28-18)12-25(23-19)16-6-4-3-5-7-16/h3-12H,1-2H3/b18-11-
InChIKey
FZHDZNVIKWRCPL-WQRHYEAKSA-N
Compound name
(5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.07187 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07915 197.9
[M+Na]+ 432.06109 211.6
[M+NH4]+ 427.10569 204.7
[M+K]+ 448.03503 202.8
[M-H]- 408.06459 202.6
[M+Na-2H]- 430.04654 204.0
[M]+ 409.07132 202.0
[M]- 409.07242 202.0
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.