CID 3086974

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

Structural Information

Molecular Formula
C21H25NO3
SMILES
CCOC1=CC=C(C=C1)C(=O)OC(CN2CCCC2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO3/c1-2-24-19-12-10-18(11-13-19)21(23)25-20(16-22-14-6-7-15-22)17-8-4-3-5-9-17/h3-5,8-13,20H,2,6-7,14-16H2,1H3
InChIKey
DJFDZMCOEILCCO-UHFFFAOYSA-N
Compound name
(1-phenyl-2-pyrrolidin-1-ylethyl) 4-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 183.6
[M+Na]+ 362.17266 195.3
[M+NH4]+ 357.21726 190.8
[M+K]+ 378.14660 189.7
[M-H]- 338.17616 188.1
[M+Na-2H]- 360.15811 191.1
[M]+ 339.18289 186.4
[M]- 339.18399 186.4
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.