CID 6449094

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

Structural Information

Molecular Formula
C19H18N2O3
SMILES
COC1=CC=C(C=C1)C(=O)/C=C\2/C(=O)N(CCN2)C3=CC=CC=C3
InChI
InChI=1S/C19H18N2O3/c1-24-16-9-7-14(8-10-16)18(22)13-17-19(23)21(12-11-20-17)15-5-3-2-4-6-15/h2-10,13,20H,11-12H2,1H3/b17-13-
InChIKey
CGRBFSZZIMMECD-LGMDPLHJSA-N
Compound name
(3Z)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1-phenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.13174 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13902 177.2
[M+Na]+ 345.12096 190.8
[M+NH4]+ 340.16556 183.3
[M+K]+ 361.09490 183.6
[M-H]- 321.12446 181.0
[M+Na-2H]- 343.10641 184.9
[M]+ 322.13119 180.0
[M]- 322.13229 180.0
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.