CID 6449095

3-(2-(4-ethoxyphenyl)-2-oxoethylidene)-1-phenylpiperazinone

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCOC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)N(CCN2)C3=CC=CC=C3
InChI
InChI=1S/C20H20N2O3/c1-2-25-17-10-8-15(9-11-17)19(23)14-18-20(24)22(13-12-21-18)16-6-4-3-5-7-16/h3-11,14,21H,2,12-13H2,1H3/b18-14-
InChIKey
KXIZBFHIXVFFMW-JXAWBTAJSA-N
Compound name
(3Z)-3-[2-(4-ethoxyphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15468 181.0
[M+Na]+ 359.13662 185.8
[M-H]- 335.14012 185.6
[M+NH4]+ 354.18122 190.2
[M+K]+ 375.11056 179.6
[M+H-H2O]+ 319.14466 170.2
[M+HCOO]- 381.14560 196.2
[M+CH3COO]- 395.16125 207.5
[M+Na-2H]- 357.12207 181.6
[M]+ 336.14685 176.8
[M]- 336.14795 176.8
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.