CID 18240

Acetic acid, 2,2-diphenyl-2-ethoxy-, (1-ethyl-3-pyrrolidinyl) ester, hydrochloride

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCN1CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC
InChI
InChI=1S/C22H27NO3/c1-3-23-16-15-20(17-23)26-21(24)22(25-4-2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20H,3-4,15-17H2,1-2H3
InChIKey
KQWLKNQCUOBOFE-UHFFFAOYSA-N
Compound name
(1-ethylpyrrolidin-3-yl) 2-ethoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.3
[M+Na]+ 376.18832 198.7
[M+NH4]+ 371.23292 194.2
[M+K]+ 392.16226 193.5
[M-H]- 352.19182 191.3
[M+Na-2H]- 374.17377 195.0
[M]+ 353.19855 190.0
[M]- 353.19965 190.0
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.