CID 16429028

623935-71-7

Structural Information

Molecular Formula
C24H23N3O3S2
SMILES
CCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H23N3O3S2/c1-4-12-26-23(28)21(32-24(26)31)14-17-15-27(18-8-6-5-7-9-18)25-22(17)16-10-11-19(29-2)20(13-16)30-3/h5-11,13-15H,4,12H2,1-3H3/b21-14-
InChIKey
ZSGGWTZVBOTCDQ-STZFKDTASA-N
Compound name
(5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.11807 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.12535 211.9
[M+Na]+ 488.10729 225.1
[M+NH4]+ 483.15189 218.0
[M+K]+ 504.08123 216.8
[M-H]- 464.11079 217.2
[M+Na-2H]- 486.09274 217.6
[M]+ 465.11752 216.2
[M]- 465.11862 216.2
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.