CID 3086976

Alpha-phenyl-1-pyrrolidineethanol o-ethoxybenzoate (ester) hydrochloride

Structural Information

Molecular Formula
C21H25NO3
SMILES
CCOC1=CC=CC=C1C(=O)OC(CN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO3/c1-2-24-19-13-7-6-12-18(19)21(23)25-20(16-22-14-8-9-15-22)17-10-4-3-5-11-17/h3-7,10-13,20H,2,8-9,14-16H2,1H3
InChIKey
ZHMMFKRXBQBLFI-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) 2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.19072 183.2
[M+Na]+ 362.17266 186.1
[M-H]- 338.17616 190.3
[M+NH4]+ 357.21726 195.9
[M+K]+ 378.14660 182.6
[M+H-H2O]+ 322.18070 173.3
[M+HCOO]- 384.18164 201.8
[M+CH3COO]- 398.19729 209.3
[M+Na-2H]- 360.15811 182.1
[M]+ 339.18289 182.9
[M]- 339.18399 182.9
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.