CID 3060621

78219-20-2

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CCN1CCC(C(C1)C(=O)OCC)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H24N2O4/c1-3-19-10-9-15(14(11-19)17(21)22-4-2)23-16(20)12-5-7-13(18)8-6-12/h5-8,14-15H,3-4,9-11,18H2,1-2H3
InChIKey
SPFJTEQYXVAORT-UHFFFAOYSA-N
Compound name
ethyl 4-(4-aminobenzoyl)oxy-1-ethylpiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 176.6
[M+Na]+ 343.16282 180.5
[M-H]- 319.16632 180.6
[M+NH4]+ 338.20742 188.7
[M+K]+ 359.13676 178.3
[M+H-H2O]+ 303.17086 167.7
[M+HCOO]- 365.17180 194.0
[M+CH3COO]- 379.18745 209.8
[M+Na-2H]- 341.14827 175.2
[M]+ 320.17305 175.4
[M]- 320.17415 175.4
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.