CID 58028

100811-88-9

Structural Information

Molecular Formula
C17H26N2O3
SMILES
CCOC1=C(C=CC(=C1)N)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C17H26N2O3/c1-2-21-16-13-14(18)7-8-15(16)17(20)22-12-6-11-19-9-4-3-5-10-19/h7-8,13H,2-6,9-12,18H2,1H3
InChIKey
CRTSEPNNNCQTLG-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-amino-2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.19434 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.20162 174.8
[M+Na]+ 329.18356 177.8
[M-H]- 305.18706 178.2
[M+NH4]+ 324.22816 187.3
[M+K]+ 345.15750 174.9
[M+H-H2O]+ 289.19160 165.5
[M+HCOO]- 351.19254 192.7
[M+CH3COO]- 365.20819 206.9
[M+Na-2H]- 327.16901 175.2
[M]+ 306.19379 173.1
[M]- 306.19489 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

No patent data available for this compound.