CID 6274031

623935-53-5

Structural Information

Molecular Formula
C27H20ClN3OS2
SMILES
CC(C1=CC=CC=C1)N2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C27H20ClN3OS2/c1-18(19-8-4-2-5-9-19)31-26(32)24(34-27(31)33)16-21-17-30(23-10-6-3-7-11-23)29-25(21)20-12-14-22(28)15-13-20/h2-18H,1H3/b24-16-
InChIKey
GSNAYIMIJCJJON-JLPGSUDCSA-N
Compound name
(5Z)-5-[[3-(4-chlorophenyl)-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

501.07364 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.08092 215.1
[M+Na]+ 524.06286 231.8
[M+NH4]+ 519.10746 223.1
[M+K]+ 540.03680 221.1
[M-H]- 500.06636 223.8
[M+Na-2H]- 522.04831 225.0
[M]+ 501.07309 221.3
[M]- 501.07419 221.3
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.