CID 6515372

624723-10-0

Structural Information

Molecular Formula
C27H21N3O2S2
SMILES
COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/SC2=S
InChI
InChI=1S/C27H21N3O2S2/c1-32-23-14-12-19(13-15-23)17-29-26(31)24(34-27(29)33)16-21-18-30(22-10-6-3-7-11-22)28-25(21)20-8-4-2-5-9-20/h2-16,18H,17H2,1H3/b24-16-
InChIKey
HQBJGCXMWJCGRQ-JLPGSUDCSA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.1075 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.11478 212.1
[M+Na]+ 506.09672 227.9
[M+NH4]+ 501.14132 219.5
[M+K]+ 522.07066 218.0
[M-H]- 482.10022 220.6
[M+Na-2H]- 504.08217 222.0
[M]+ 483.10695 217.8
[M]- 483.10805 217.8
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.