CID 3060625

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

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCOC(=O)C1CN(CCC1OC(=O)C2=CC=C(C=C2)N)CC(C)C
InChI
InChI=1S/C19H28N2O4/c1-4-24-19(23)16-12-21(11-13(2)3)10-9-17(16)25-18(22)14-5-7-15(20)8-6-14/h5-8,13,16-17H,4,9-12,20H2,1-3H3
InChIKey
QNJUKGKWHXGNGT-UHFFFAOYSA-N
Compound name
ethyl 4-(4-aminobenzoyl)oxy-1-(2-methylpropyl)piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2049 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 184.6
[M+Na]+ 371.19412 193.1
[M+NH4]+ 366.23872 189.4
[M+K]+ 387.16806 188.8
[M-H]- 347.19762 186.1
[M+Na-2H]- 369.17957 187.4
[M]+ 348.20435 185.8
[M]- 348.20545 185.8
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.