CID 6449088

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

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CN1CCN/C(=C\C(=O)C2=CC=C(C=C2)OC)/C1=O
InChI
InChI=1S/C14H16N2O3/c1-16-8-7-15-12(14(16)18)9-13(17)10-3-5-11(19-2)6-4-10/h3-6,9,15H,7-8H2,1-2H3/b12-9-
InChIKey
PIQICVQHLFPMGK-XFXZXTDPSA-N
Compound name
(3Z)-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 159.8
[M+Na]+ 283.10532 166.2
[M-H]- 259.10882 162.0
[M+NH4]+ 278.14992 172.9
[M+K]+ 299.07926 162.1
[M+H-H2O]+ 243.11336 151.3
[M+HCOO]- 305.11430 175.9
[M+CH3COO]- 319.12995 193.4
[M+Na-2H]- 281.09077 161.2
[M]+ 260.11555 156.4
[M]- 260.11665 156.4
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.