CID 424698

N-pentyl-1-piperidineacetamide

Structural Information

Molecular Formula
C23H27NO5
SMILES
COC(=O)C(C1=CC=CC=C1)C2(CCN(CC2)CC3COC4=CC=CC=C4O3)O
InChI
InChI=1S/C23H27NO5/c1-27-22(25)21(17-7-3-2-4-8-17)23(26)11-13-24(14-12-23)15-18-16-28-19-9-5-6-10-20(19)29-18/h2-10,18,21,26H,11-16H2,1H3
InChIKey
JRCQNISJBGRJNP-UHFFFAOYSA-N
Compound name
methyl 2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-hydroxypiperidin-4-yl]-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18893 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19621 196.2
[M+Na]+ 420.17815 198.2
[M-H]- 396.18165 203.3
[M+NH4]+ 415.22275 203.8
[M+K]+ 436.15209 197.2
[M+H-H2O]+ 380.18619 185.2
[M+HCOO]- 442.18713 205.5
[M+CH3COO]- 456.20278 203.1
[M+Na-2H]- 418.16360 198.0
[M]+ 397.18838 193.2
[M]- 397.18948 193.2
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.