CID 11971479

Alpha,alpha-dibenzyl-1-(p-methoxybenzyl)-2-pyrrolidinemethanol hydrochloride

Structural Information

Molecular Formula
C27H31NO2
SMILES
COC1=CC=C(C=C1)CN2CCCC2C(CC3=CC=CC=C3)(CC4=CC=CC=C4)O
InChI
InChI=1S/C27H31NO2/c1-30-25-16-14-24(15-17-25)21-28-18-8-13-26(28)27(29,19-22-9-4-2-5-10-22)20-23-11-6-3-7-12-23/h2-7,9-12,14-17,26,29H,8,13,18-21H2,1H3
InChIKey
PARHELZFHQSPIT-UHFFFAOYSA-N
Compound name
2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.23547 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.24275 203.6
[M+Na]+ 424.22469 217.5
[M+NH4]+ 419.26929 211.4
[M+K]+ 440.19863 209.8
[M-H]- 400.22819 210.8
[M+Na-2H]- 422.21014 213.9
[M]+ 401.23492 207.8
[M]- 401.23602 207.8
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.