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]+ 368.22203 191.7
[M+Na]+ 390.20397 194.0
[M-H]- 366.20747 198.0
[M+NH4]+ 385.24857 201.5
[M+K]+ 406.17791 189.5
[M+H-H2O]+ 350.21201 180.5
[M+HCOO]- 412.21295 208.3
[M+CH3COO]- 426.22860 216.2
[M+Na-2H]- 388.18942 191.7
[M]+ 367.21420 190.8
[M]- 367.21530 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.