CID 18072191

1-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,3-dione

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CC(=O)CC(=O)N1CCN(CC1)C2=CC=CC=C2OC
InChI
InChI=1S/C15H20N2O3/c1-12(18)11-15(19)17-9-7-16(8-10-17)13-5-3-4-6-14(13)20-2/h3-6H,7-11H2,1-2H3
InChIKey
SEFSQBBKKMHSLX-UHFFFAOYSA-N
Compound name
1-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 164.7
[M+Na]+ 299.136618 169.5
[M-H]- 275.140124 167.7
[M+NH4]+ 294.181223 177.6
[M+K]+ 315.110558 167.2
[M+H-H2O]+ 259.144660 155.5
[M+HCOO]- 321.145601 180.8
[M+CH3COO]- 335.161251 199.3
[M+Na-2H]- 297.122066 165.6
[M]+ 276.14685142 163.2
[M]- 276.14794858 163.2
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.