CID 1829264

623934-81-6

Structural Information

Molecular Formula
C29H25N3O3S2
SMILES
CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C29H25N3O3S2/c1-3-35-25-15-11-21(12-16-25)27-22(19-32(30-27)23-7-5-4-6-8-23)17-26-28(33)31(29(36)37-26)18-20-9-13-24(34-2)14-10-20/h4-17,19H,3,18H2,1-2H3/b26-17-
InChIKey
XOGHQYLEISFLOL-ONUIUJJFSA-N
Compound name
(5Z)-5-[[3-(4-ethoxyphenyl)-1-phenylpyrazol-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

527.1337 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.14098 224.6
[M+Na]+ 550.12292 239.7
[M+NH4]+ 545.16752 231.0
[M+K]+ 566.09686 230.1
[M-H]- 526.12642 232.6
[M+Na-2H]- 548.10837 233.3
[M]+ 527.13315 230.0
[M]- 527.13425 230.0
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.