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 185.4
[M+Na]+ 371.19412 188.1
[M-H]- 347.19762 189.0
[M+NH4]+ 366.23872 196.2
[M+K]+ 387.16806 186.1
[M+H-H2O]+ 331.20216 176.3
[M+HCOO]- 393.20310 201.0
[M+CH3COO]- 407.21875 216.7
[M+Na-2H]- 369.17957 181.8
[M]+ 348.20435 184.2
[M]- 348.20545 184.2
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.