CID 215185

1(2h)-pyridineethanol, 3,6-dihydro-4-benzyl-alpha-(4-methoxyphenyl)-beta-methyl-

Structural Information

Molecular Formula
C22H27NO2
SMILES
CC(C(C1=CC=C(C=C1)OC)O)N2CCC(=CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H27NO2/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/h3-12,17,22,24H,13-16H2,1-2H3
InChIKey
XQLBAPHRSPLANO-UHFFFAOYSA-N
Compound name
2-(4-benzyl-3,6-dihydro-2H-pyridin-1-yl)-1-(4-methoxyphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.21148 183.7
[M+Na]+ 360.19342 186.5
[M-H]- 336.19692 189.3
[M+NH4]+ 355.23802 194.2
[M+K]+ 376.16736 181.7
[M+H-H2O]+ 320.20146 173.4
[M+HCOO]- 382.20240 199.2
[M+CH3COO]- 396.21805 210.7
[M+Na-2H]- 358.17887 183.7
[M]+ 337.20365 180.8
[M]- 337.20475 180.8
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.