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

1
Patents

306.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.201616 174.8
[M+Na]+ 329.183558 177.8
[M-H]- 305.187064 178.2
[M+NH4]+ 324.228163 187.3
[M+K]+ 345.157498 174.9
[M+H-H2O]+ 289.191600 165.5
[M+HCOO]- 351.192541 192.7
[M+CH3COO]- 365.208191 206.9
[M+Na-2H]- 327.169006 175.2
[M]+ 306.19379142 173.1
[M]- 306.19488858 173.1
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

patents stripe