CID 5895123

624724-46-5

Structural Information

Molecular Formula
C27H21N3OS2
SMILES
C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C27H21N3OS2/c31-26-24(33-27(32)29(26)17-16-20-10-4-1-5-11-20)18-22-19-30(23-14-8-3-9-15-23)28-25(22)21-12-6-2-7-13-21/h1-15,18-19H,16-17H2/b24-18-
InChIKey
XBFLWASKNXAZFV-MOHJPFBDSA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-(2-phenylethyl)-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

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.11988 207.6
[M+Na]+ 490.10182 223.6
[M+NH4]+ 485.14642 215.6
[M+K]+ 506.07576 212.9
[M-H]- 466.10532 216.4
[M+Na-2H]- 488.08727 218.1
[M]+ 467.11205 213.4
[M]- 467.11315 213.4
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.