CID 57759

100311-28-2

Structural Information

Molecular Formula
C19H30N2O2
SMILES
CCCCNC1=CC=C(C=C1)C(=O)OCCCN2CCCCC2
InChI
InChI=1S/C19H30N2O2/c1-2-3-12-20-18-10-8-17(9-11-18)19(22)23-16-7-15-21-13-5-4-6-14-21/h8-11,20H,2-7,12-16H2,1H3
InChIKey
AMUOQJJITKJRNO-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.23074 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.238016 180.2
[M+Na]+ 341.219958 181.4
[M-H]- 317.223464 183.3
[M+NH4]+ 336.264563 192.2
[M+K]+ 357.193898 177.8
[M+H-H2O]+ 301.228000 170.4
[M+HCOO]- 363.228941 197.9
[M+CH3COO]- 377.244591 210.1
[M+Na-2H]- 339.205406 181.2
[M]+ 318.23019142 178.3
[M]- 318.23128858 178.3
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.