CID 215171

Alpha-(((alpha-benzylphenethyl)oxy)methyl)-1-pyrrolidineethanol hydrochloride

Structural Information

Molecular Formula
C22H29NO2
SMILES
C1CCN(C1)CC(COC(CC2=CC=CC=C2)CC3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO2/c24-21(17-23-13-7-8-14-23)18-25-22(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-6,9-12,21-22,24H,7-8,13-18H2
InChIKey
NYXIJAFDAGNBIH-UHFFFAOYSA-N
Compound name
1-(1,3-diphenylpropan-2-yloxy)-3-pyrrolidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 185.2
[M+Na]+ 362.20904 186.0
[M-H]- 338.21254 190.2
[M+NH4]+ 357.25364 196.9
[M+K]+ 378.18298 181.3
[M+H-H2O]+ 322.21708 175.2
[M+HCOO]- 384.21802 201.6
[M+CH3COO]- 398.23367 208.0
[M+Na-2H]- 360.19449 183.8
[M]+ 339.21927 182.4
[M]- 339.22037 182.4
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.