CID 3064184

Alpha-phenyl-1-piperidineacetic acid 2-(2-piperidinoethoxy)ethyl ester dihydrochloride

Structural Information

Molecular Formula
C22H34N2O3
SMILES
C1CCN(CC1)CCOCCOC(=O)C(C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C22H34N2O3/c25-22(27-19-18-26-17-16-23-12-6-2-7-13-23)21(20-10-4-1-5-11-20)24-14-8-3-9-15-24/h1,4-5,10-11,21H,2-3,6-9,12-19H2
InChIKey
VBVBINJQYGNQMU-UHFFFAOYSA-N
Compound name
2-(2-piperidin-1-ylethoxy)ethyl 2-phenyl-2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.25696 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.26424 194.0
[M+Na]+ 397.24618 191.3
[M-H]- 373.24968 197.0
[M+NH4]+ 392.29078 201.0
[M+K]+ 413.22012 187.9
[M+H-H2O]+ 357.25422 181.7
[M+HCOO]- 419.25516 204.2
[M+CH3COO]- 433.27081 215.5
[M+Na-2H]- 395.23163 191.9
[M]+ 374.25641 187.4
[M]- 374.25751 187.4
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.