CID 16429035

623935-89-7

Structural Information

Molecular Formula
C24H23N3O4S2
SMILES
COCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H23N3O4S2/c1-29-12-11-26-23(28)21(33-24(26)32)14-17-15-27(18-7-5-4-6-8-18)25-22(17)16-9-10-19(30-2)20(13-16)31-3/h4-10,13-15H,11-12H2,1-3H3/b21-14-
InChIKey
WVKIGZLMSMGUNR-STZFKDTASA-N
Compound name
(5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.113 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.12028 215.1
[M+Na]+ 504.10222 227.8
[M+NH4]+ 499.14682 220.6
[M+K]+ 520.07616 220.0
[M-H]- 480.10572 220.0
[M+Na-2H]- 502.08767 220.5
[M]+ 481.11245 219.1
[M]- 481.11355 219.1
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.