CID 5940274

Salor-int l438936-1ea

Structural Information

Molecular Formula
C27H19F2N3OS2
SMILES
CC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)C5=CC=CC=C5)F
InChI
InChI=1S/C27H19F2N3OS2/c1-17-7-10-19(13-23(17)29)25-20(16-32(30-25)22-5-3-2-4-6-22)14-24-26(33)31(27(34)35-24)15-18-8-11-21(28)12-9-18/h2-14,16H,15H2,1H3/b24-14-
InChIKey
FBFGAOZVNNEODO-OYKKKHCWSA-N
Compound name
(5Z)-5-[[3-(3-fluoro-4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.09375 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.10103 219.9
[M+Na]+ 526.08297 233.9
[M+NH4]+ 521.12757 225.8
[M+K]+ 542.05691 224.1
[M-H]- 502.08647 225.3
[M+Na-2H]- 524.06842 227.1
[M]+ 503.09320 224.3
[M]- 503.09430 224.3
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.