CID 18446

Acetic acid, 2,2-diphenyl-2-methoxy-, (1-methyl-3-piperidyl) ester, hydrochloride

Structural Information

Molecular Formula
C21H25NO3
SMILES
CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
InChI
InChI=1S/C21H25NO3/c1-22-15-9-14-19(16-22)25-20(23)21(24-2,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-16H2,1-2H3
InChIKey
VNWHGYGMSKSXSW-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-3-yl) 2-methoxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.18344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.190716 182.4
[M+Na]+ 362.172658 185.1
[M-H]- 338.176164 189.1
[M+NH4]+ 357.217263 193.2
[M+K]+ 378.146598 181.6
[M+H-H2O]+ 322.180700 172.2
[M+HCOO]- 384.181641 198.1
[M+CH3COO]- 398.197291 209.6
[M+Na-2H]- 360.158106 185.2
[M]+ 339.18289142 180.0
[M]- 339.18398858 180.0
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.