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]+ 263.13902 161.0
[M+Na]+ 285.12096 164.8
[M-H]- 261.12446 162.4
[M+NH4]+ 280.16556 173.4
[M+K]+ 301.09490 161.8
[M+H-H2O]+ 245.12900 152.0
[M+HCOO]- 307.12994 175.9
[M+CH3COO]- 321.14559 192.6
[M+Na-2H]- 283.10641 162.6
[M]+ 262.13119 156.9
[M]- 262.13229 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