CID 45325

63917-81-7

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C23H29NO3/c1-19-8-5-6-15-24(19)16-7-17-26-23(25)21-11-13-22(14-12-21)27-18-20-9-3-2-4-10-20/h2-4,9-14,19H,5-8,15-18H2,1H3
InChIKey
OJVCBDIBYRGSGF-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-phenylmethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.222026 191.7
[M+Na]+ 390.203968 194.0
[M-H]- 366.207474 198.0
[M+NH4]+ 385.248573 201.5
[M+K]+ 406.177908 189.5
[M+H-H2O]+ 350.212010 180.5
[M+HCOO]- 412.212951 208.3
[M+CH3COO]- 426.228601 216.2
[M+Na-2H]- 388.189416 191.7
[M]+ 367.21420142 190.8
[M]- 367.21529858 190.8
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.