CID 199018

Ainicaine hydrochloride

Structural Information

Molecular Formula
C21H25NO2
SMILES
C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25NO2/c23-21(24-17-16-22-14-8-3-9-15-22)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChIKey
BXPWUOQQRMOUIT-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.18854 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.19582 179.6
[M+Na]+ 346.17776 180.7
[M-H]- 322.18126 185.5
[M+NH4]+ 341.22236 190.5
[M+K]+ 362.15170 176.4
[M+H-H2O]+ 306.18580 168.8
[M+HCOO]- 368.18674 195.7
[M+CH3COO]- 382.20239 206.8
[M+Na-2H]- 344.16321 180.8
[M]+ 323.18799 175.1
[M]- 323.18909 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.