CID 5864635

623940-33-0

Structural Information

Molecular Formula
C28H22FN3OS2
SMILES
CC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)C5=CC=CC=C5)F
InChI
InChI=1S/C28H22FN3OS2/c1-18-13-14-21(15-24(18)29)26-22(17-31(30-26)23-11-7-4-8-12-23)16-25-27(33)32(28(34)35-25)19(2)20-9-5-3-6-10-20/h3-17,19H,1-2H3/b25-16-
InChIKey
KFRFCMGBXVIYQH-XYGWBWBKSA-N
Compound name
(5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.11884 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.12612 217.9
[M+Na]+ 522.10806 232.6
[M+NH4]+ 517.15266 224.6
[M+K]+ 538.08200 223.0
[M-H]- 498.11156 224.9
[M+Na-2H]- 520.09351 226.4
[M]+ 499.11829 222.9
[M]- 499.11939 222.9
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.