CID 17972

2,2-diphenyl-2-methoxyacetic acid (1-ethyl-3-piperidyl) ester hydrochloride

Structural Information

Molecular Formula
C22H27NO3
SMILES
CCN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
InChI
InChI=1S/C22H27NO3/c1-3-23-16-10-15-20(17-23)26-21(24)22(25-2,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20H,3,10,15-17H2,1-2H3
InChIKey
MUTNDHLVYPXZBN-UHFFFAOYSA-N
Compound name
(1-ethylpiperidin-3-yl) 2-methoxy-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 186.9
[M+Na]+ 376.18832 189.1
[M-H]- 352.19182 193.4
[M+NH4]+ 371.23292 197.1
[M+K]+ 392.16226 185.4
[M+H-H2O]+ 336.19636 176.4
[M+HCOO]- 398.19730 202.3
[M+CH3COO]- 412.21295 212.5
[M+Na-2H]- 374.17377 189.1
[M]+ 353.19855 184.8
[M]- 353.19965 184.8
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.