CID 57741

100311-15-7

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CCCOC1=C(C=CC(=C1)N)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C18H28N2O3/c1-2-12-22-17-14-15(19)7-8-16(17)18(21)23-13-6-11-20-9-4-3-5-10-20/h7-8,14H,2-6,9-13,19H2,1H3
InChIKey
JMGAKBCUXFBQMN-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-amino-2-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 179.5
[M+Na]+ 343.19922 189.0
[M+NH4]+ 338.24382 185.6
[M+K]+ 359.17316 182.5
[M-H]- 319.20272 182.2
[M+Na-2H]- 341.18467 183.9
[M]+ 320.20945 181.3
[M]- 320.21055 181.3
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.