CID 851810

4-oxo-4-(4-phenylpiperazin-1-yl)butanoic acid

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)CCC(=O)O
InChI
InChI=1S/C14H18N2O3/c17-13(6-7-14(18)19)16-10-8-15(9-11-16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)
InChIKey
LAXKHGHYLUXJEY-UHFFFAOYSA-N
Compound name
4-oxo-4-(4-phenylpiperazin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

262.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 161.0
[M+Na]+ 285.120958 164.8
[M-H]- 261.124464 162.4
[M+NH4]+ 280.165563 173.4
[M+K]+ 301.094898 161.8
[M+H-H2O]+ 245.129000 152.0
[M+HCOO]- 307.129941 175.9
[M+CH3COO]- 321.145591 192.6
[M+Na-2H]- 283.106406 162.6
[M]+ 262.13119142 156.9
[M]- 262.13228858 156.9
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

patents stripe