CID 1982051

623934-83-8

Structural Information

Molecular Formula
C28H23N3O2S2
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C28H23N3O2S2/c1-19-8-10-20(11-9-19)17-30-27(32)25(35-28(30)34)16-22-18-31(23-6-4-3-5-7-23)29-26(22)21-12-14-24(33-2)15-13-21/h3-16,18H,17H2,1-2H3/b25-16-
InChIKey
VRVDBPKHCSHBGR-XYGWBWBKSA-N
Compound name
(5Z)-5-[[3-(4-methoxyphenyl)-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

497.12317 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.13045 217.4
[M+Na]+ 520.11239 233.2
[M+NH4]+ 515.15699 224.6
[M+K]+ 536.08633 223.2
[M-H]- 496.11589 225.8
[M+Na-2H]- 518.09784 226.7
[M]+ 497.12262 223.1
[M]- 497.12372 223.1
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.