CID 3060627

3-carbethoxy-1-isopentyl-4-piperidyl p-aminobenzoate hydrochloride

Structural Information

Molecular Formula
C20H30N2O4
SMILES
CCOC(=O)C1CN(CCC1OC(=O)C2=CC=C(C=C2)N)CCC(C)C
InChI
InChI=1S/C20H30N2O4/c1-4-25-20(24)17-13-22(11-9-14(2)3)12-10-18(17)26-19(23)15-5-7-16(21)8-6-15/h5-8,14,17-18H,4,9-13,21H2,1-3H3
InChIKey
XNBVFLFBCOUBJK-UHFFFAOYSA-N
Compound name
ethyl 4-(4-aminobenzoyl)oxy-1-(3-methylbutyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.22055 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.22783 189.0
[M+Na]+ 385.20977 197.3
[M+NH4]+ 380.25437 193.6
[M+K]+ 401.18371 192.7
[M-H]- 361.21327 190.4
[M+Na-2H]- 383.19522 191.5
[M]+ 362.22000 190.1
[M]- 362.22110 190.1
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.