CID 16429030

623935-75-1

Structural Information

Molecular Formula
C22H19N3O3S2
SMILES
CN1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H19N3O3S2/c1-24-21(26)19(30-22(24)29)12-15-13-25(16-7-5-4-6-8-16)23-20(15)14-9-10-17(27-2)18(11-14)28-3/h4-13H,1-3H3/b19-12-
InChIKey
RDUZOZHAFQVBAU-UNOMPAQXSA-N
Compound name
(5Z)-5-[[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

437.0868 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.09408 203.9
[M+Na]+ 460.07602 217.6
[M+NH4]+ 455.12062 210.4
[M+K]+ 476.04996 209.6
[M-H]- 436.07952 209.3
[M+Na-2H]- 458.06147 210.0
[M]+ 437.08625 208.3
[M]- 437.08735 208.3
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

patents stripe