CID 2139116

624724-45-4

Structural Information

Molecular Formula
C22H19N3O2S2
SMILES
COCCN1C(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/SC1=S
InChI
InChI=1S/C22H19N3O2S2/c1-27-13-12-24-21(26)19(29-22(24)28)14-17-15-25(18-10-6-3-7-11-18)23-20(17)16-8-4-2-5-9-16/h2-11,14-15H,12-13H2,1H3/b19-14-
InChIKey
YYPQFOAHUQEUDR-RGEXLXHISA-N
Compound name
(5Z)-5-[(1,3-diphenylpyrazol-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

421.09186 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09914 198.2
[M+Na]+ 444.08108 211.8
[M+NH4]+ 439.12568 205.3
[M+K]+ 460.05502 203.0
[M-H]- 420.08458 204.0
[M+Na-2H]- 442.06653 205.3
[M]+ 421.09131 202.7
[M]- 421.09241 202.7
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.