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]+ 375.264236 194.0
[M+Na]+ 397.246178 191.3
[M-H]- 373.249684 197.0
[M+NH4]+ 392.290783 201.0
[M+K]+ 413.220118 187.9
[M+H-H2O]+ 357.254220 181.7
[M+HCOO]- 419.255161 204.2
[M+CH3COO]- 433.270811 215.5
[M+Na-2H]- 395.231626 191.9
[M]+ 374.25641142 187.4
[M]- 374.25750858 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.