CID 57733

5-amino-2-(3-piperidinopropoxy)benzoic acid ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCOC(=O)C1=C(C=CC(=C1)N)OCCCN2CCCCC2
InChI
InChI=1S/C17H26N2O3/c1-2-21-17(20)15-13-14(18)7-8-16(15)22-12-6-11-19-9-4-3-5-10-19/h7-8,13H,2-6,9-12,18H2,1H3
InChIKey
MWPAIAJNEKYSBX-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-(3-piperidin-1-ylpropoxy)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 175.1
[M+Na]+ 329.18356 184.8
[M+NH4]+ 324.22816 181.4
[M+K]+ 345.15750 178.6
[M-H]- 305.18706 177.8
[M+Na-2H]- 327.16901 179.8
[M]+ 306.19379 176.9
[M]- 306.19489 176.9
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.