CID 215132

35045-67-1

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]+ 277.15468 164.8
[M+Na]+ 299.13662 167.8
[M-H]- 275.14012 166.1
[M+NH4]+ 294.18122 176.4
[M+K]+ 315.11056 165.1
[M+H-H2O]+ 259.14466 155.8
[M+HCOO]- 321.14560 178.3
[M+CH3COO]- 335.16125 197.2
[M+Na-2H]- 297.12207 164.8
[M]+ 276.14685 160.5
[M]- 276.14795 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.