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]+ 321.180876 176.6
[M+Na]+ 343.162818 180.5
[M-H]- 319.166324 180.6
[M+NH4]+ 338.207423 188.7
[M+K]+ 359.136758 178.3
[M+H-H2O]+ 303.170860 167.7
[M+HCOO]- 365.171801 194.0
[M+CH3COO]- 379.187451 209.8
[M+Na-2H]- 341.148266 175.2
[M]+ 320.17305142 175.4
[M]- 320.17414858 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.