CID 3086976

112819-13-3

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]+ 340.190716 183.2
[M+Na]+ 362.172658 186.1
[M-H]- 338.176164 190.3
[M+NH4]+ 357.217263 195.9
[M+K]+ 378.146598 182.6
[M+H-H2O]+ 322.180700 173.3
[M+HCOO]- 384.181641 201.8
[M+CH3COO]- 398.197291 209.3
[M+Na-2H]- 360.158106 182.1
[M]+ 339.18289142 182.9
[M]- 339.18398858 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.