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]+ 398.196206 196.2
[M+Na]+ 420.178148 198.2
[M-H]- 396.181654 203.3
[M+NH4]+ 415.222753 203.8
[M+K]+ 436.152088 197.2
[M+H-H2O]+ 380.186190 185.2
[M+HCOO]- 442.187131 205.5
[M+CH3COO]- 456.202781 203.1
[M+Na-2H]- 418.163596 198.0
[M]+ 397.18838142 193.2
[M]- 397.18947858 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.