CID 47009

64050-41-5

Structural Information

Molecular Formula
C22H27NO2
SMILES
CC1CCCCN1CCCOC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)21-13-11-20(12-14-21)19-9-3-2-4-10-19/h2-4,9-14,18H,5-8,15-17H2,1H3
InChIKey
YHUJWSLDSRQQKZ-UHFFFAOYSA-N
Compound name
3-(2-methylpiperidin-1-yl)propyl 4-phenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 185.1
[M+Na]+ 360.19342 198.9
[M+NH4]+ 355.23802 193.1
[M+K]+ 376.16736 189.8
[M-H]- 336.19692 191.1
[M+Na-2H]- 358.17887 193.9
[M]+ 337.20365 188.8
[M]- 337.20475 188.8
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.