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]+ 338.211476 184.2
[M+Na]+ 360.193418 187.2
[M-H]- 336.196924 190.8
[M+NH4]+ 355.238023 195.4
[M+K]+ 376.167358 182.2
[M+H-H2O]+ 320.201460 173.5
[M+HCOO]- 382.202401 201.0
[M+CH3COO]- 396.218051 211.2
[M+Na-2H]- 358.178866 184.7
[M]+ 337.20365142 181.6
[M]- 337.20474858 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.