CID 1982129

623934-77-0

Structural Information

Molecular Formula
C27H20ClN3OS2
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C27H20ClN3OS2/c1-18-7-9-19(10-8-18)16-30-26(32)24(34-27(30)33)15-21-17-31(23-5-3-2-4-6-23)29-25(21)20-11-13-22(28)14-12-20/h2-15,17H,16H2,1H3/b24-15-
InChIKey
WWJPPLABKKXIAF-IWIPYMOSSA-N
Compound name
(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-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 217.5
[M+Na]+ 524.06286 234.9
[M+NH4]+ 519.10746 225.7
[M+K]+ 540.03680 223.5
[M-H]- 500.06636 226.5
[M+Na-2H]- 522.04831 227.3
[M]+ 501.07309 224.0
[M]- 501.07419 224.0
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.