CID 5942511

623934-76-9

Structural Information

Molecular Formula
C28H23N3OS2
SMILES
CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)C)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C28H23N3OS2/c1-19-8-12-21(13-9-19)17-30-27(32)25(34-28(30)33)16-23-18-31(24-6-4-3-5-7-24)29-26(23)22-14-10-20(2)11-15-22/h3-16,18H,17H2,1-2H3/b25-16-
InChIKey
JMUNPFSZQDIFNM-XYGWBWBKSA-N
Compound name
(5Z)-3-[(4-methylphenyl)methyl]-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.12827 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.13555 214.0
[M+Na]+ 504.11749 230.4
[M+NH4]+ 499.16209 221.8
[M+K]+ 520.09143 219.8
[M-H]- 480.12099 222.9
[M+Na-2H]- 502.10294 223.7
[M]+ 481.12772 220.0
[M]- 481.12882 220.0
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.