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 184.2
[M+Na]+ 360.19342 187.2
[M-H]- 336.19692 190.8
[M+NH4]+ 355.23802 195.4
[M+K]+ 376.16736 182.2
[M+H-H2O]+ 320.20146 173.5
[M+HCOO]- 382.20240 201.0
[M+CH3COO]- 396.21805 211.2
[M+Na-2H]- 358.17887 184.7
[M]+ 337.20365 181.6
[M]- 337.20475 181.6
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.