CID 1975425

624723-11-1

Structural Information

Molecular Formula
C27H21N3OS2
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C27H21N3OS2/c1-19-12-14-20(15-13-19)17-29-26(31)24(33-27(29)32)16-22-18-30(23-10-6-3-7-11-23)28-25(22)21-8-4-2-5-9-21/h2-16,18H,17H2,1H3/b24-16-
InChIKey
XOBXMDPWALOLCR-JLPGSUDCSA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-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

467.1126 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.11988 208.7
[M+Na]+ 490.10182 225.1
[M+NH4]+ 485.14642 216.7
[M+K]+ 506.07576 214.6
[M-H]- 466.10532 217.6
[M+Na-2H]- 488.08727 219.0
[M]+ 467.11205 214.7
[M]- 467.11315 214.7
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.