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]+ 402.242746 200.8
[M+Na]+ 424.224688 203.5
[M-H]- 400.228194 209.4
[M+NH4]+ 419.269293 210.1
[M+K]+ 440.198628 196.8
[M+H-H2O]+ 384.232730 189.9
[M+HCOO]- 446.233671 217.0
[M+CH3COO]- 460.249321 208.3
[M+Na-2H]- 422.210136 200.7
[M]+ 401.23492142 198.4
[M]- 401.23601858 198.4
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.