CID 204009

15565-25-0

Structural Information

Molecular Formula
C22H29NO2
SMILES
COC1=C(C=C(C=C1)CCN2CCC(CC2)CC3=CC=CC=C3)OC
InChI
InChI=1S/C22H29NO2/c1-24-21-9-8-19(17-22(21)25-2)10-13-23-14-11-20(12-15-23)16-18-6-4-3-5-7-18/h3-9,17,20H,10-16H2,1-2H3
InChIKey
HMIHJBNZIMQOOL-UHFFFAOYSA-N
Compound name
4-benzyl-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.227096 185.2
[M+Na]+ 362.209038 189.0
[M-H]- 338.212544 192.0
[M+NH4]+ 357.253643 196.8
[M+K]+ 378.182978 184.2
[M+H-H2O]+ 322.217080 174.4
[M+HCOO]- 384.218021 202.8
[M+CH3COO]- 398.233671 212.9
[M+Na-2H]- 360.194486 186.1
[M]+ 339.21927142 184.3
[M]- 339.22036858 184.3
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.