CID 215182

35133-55-2

Structural Information

Molecular Formula
C22H29NO2
SMILES
CC(C(C1=CC=C(C=C1)OC)O)N2CCC(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H29NO2/c1-17(22(24)20-8-10-21(25-2)11-9-20)23-14-12-19(13-15-23)16-18-6-4-3-5-7-18/h3-11,17,19,22,24H,12-16H2,1-2H3
InChIKey
DARNSYDCMZJMSF-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

339.21982 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 184.8
[M+Na]+ 362.20904 186.6
[M-H]- 338.21254 190.0
[M+NH4]+ 357.25364 195.1
[M+K]+ 378.18298 182.0
[M+H-H2O]+ 322.21708 174.6
[M+HCOO]- 384.21802 198.9
[M+CH3COO]- 398.23367 211.0
[M+Na-2H]- 360.19449 183.8
[M]+ 339.21927 180.5
[M]- 339.22037 180.5
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

patents stripe