CID 50687

P-aminobenzoic acid 3-(3-ethoxycarbonylpiperidino)propyl ester hydrochloride

Structural Information

Molecular Formula
C18H26N2O4
SMILES
CCOC(=O)C1CCCN(C1)CCCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H26N2O4/c1-2-23-18(22)15-5-3-10-20(13-15)11-4-12-24-17(21)14-6-8-16(19)9-7-14/h6-9,15H,2-5,10-13,19H2,1H3
InChIKey
DAHUEPGDPZFIRO-UHFFFAOYSA-N
Compound name
ethyl 1-[3-(4-aminobenzoyl)oxypropyl]piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.18927 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.19655 181.1
[M+Na]+ 357.17849 183.5
[M-H]- 333.18199 184.4
[M+NH4]+ 352.22309 192.3
[M+K]+ 373.15243 181.1
[M+H-H2O]+ 317.18653 171.7
[M+HCOO]- 379.18747 198.1
[M+CH3COO]- 393.20312 211.5
[M+Na-2H]- 355.16394 179.9
[M]+ 334.18872 179.8
[M]- 334.18982 179.8
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.