CID 3044259

1-piperazineacetic acid, 4-phenyl-, ethyl ester

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CCOC(=O)CN1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c1-2-18-14(17)12-15-8-10-16(11-9-15)13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3
InChIKey
OHSLVANDVCNDGK-UHFFFAOYSA-N
Compound name
ethyl 2-(4-phenylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

248.15248 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 159.4
[M+Na]+ 271.14170 171.3
[M+NH4]+ 266.18630 166.7
[M+K]+ 287.11564 164.6
[M-H]- 247.14520 161.8
[M+Na-2H]- 269.12715 165.9
[M]+ 248.15193 161.6
[M]- 248.15303 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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