CID 2389205

722464-06-4

Structural Information

Molecular Formula
C23H22N4O4S
SMILES
CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N2)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C)O
InChI
InChI=1S/C23H22N4O4S/c1-4-31-19-13-15(10-11-18(19)28)12-17-21(29)26(23(32)24-17)20-14(2)25(3)27(22(20)30)16-8-6-5-7-9-16/h5-13,28H,4H2,1-3H3,(H,24,32)/b17-12-
InChIKey
PGMDZTMNDOBGFY-ATVHPVEESA-N
Compound name
4-[(4Z)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

450.13617 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.14345 212.1
[M+Na]+ 473.12539 225.0
[M+NH4]+ 468.16999 215.7
[M+K]+ 489.09933 220.7
[M-H]- 449.12889 215.1
[M+Na-2H]- 471.11084 216.0
[M]+ 450.13562 214.9
[M]- 450.13672 214.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.