CID 215132

2-(4-methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid

Structural Information

Molecular Formula
C15H20N2O3
SMILES
CN1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H20N2O3/c1-16-7-9-17(10-8-16)13(15(19)20)11-14(18)12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,19,20)
InChIKey
LTNPWXLKTZTDAS-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.1474 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.154676 164.8
[M+Na]+ 299.136618 167.8
[M-H]- 275.140124 166.1
[M+NH4]+ 294.181223 176.4
[M+K]+ 315.110558 165.1
[M+H-H2O]+ 259.144660 155.8
[M+HCOO]- 321.145601 178.3
[M+CH3COO]- 335.161251 197.2
[M+Na-2H]- 297.122066 164.8
[M]+ 276.14685142 160.5
[M]- 276.14794858 160.5
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.