CID 2139054

623935-77-3

Structural Information

Molecular Formula
C24H23N3O3S2
SMILES
CC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C24H23N3O3S2/c1-15(2)27-23(28)21(32-24(27)31)13-17-14-26(18-8-6-5-7-9-18)25-22(17)16-10-11-19(29-3)20(12-16)30-4/h5-15H,1-4H3/b21-13-
InChIKey
UEFFLTOZKUBBAH-BKUYFWCQSA-N
Compound name
(5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propan-2-yl-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 210.8
[M+Na]+ 488.10729 223.7
[M+NH4]+ 483.15189 216.8
[M+K]+ 504.08123 216.2
[M-H]- 464.11079 216.0
[M+Na-2H]- 486.09274 216.4
[M]+ 465.11752 215.0
[M]- 465.11862 215.0
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.