CID 11911981

2-[(3r,4s)-1-acetyl-3-ethylpiperidin-4-yl]-n-benzylacetamide

Structural Information

Molecular Formula
C18H26N2O2
SMILES
CC[C@H]1CN(CC[C@H]1CC(=O)NCC2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C18H26N2O2/c1-3-16-13-20(14(2)21)10-9-17(16)11-18(22)19-12-15-7-5-4-6-8-15/h4-8,16-17H,3,9-13H2,1-2H3,(H,19,22)/t16-,17-/m0/s1
InChIKey
XJYDMHXBTRSVRC-IRXDYDNUSA-N
Compound name
2-[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]-N-benzylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.206706 175.2
[M+Na]+ 325.188648 178.0
[M-H]- 301.192154 179.1
[M+NH4]+ 320.233253 188.2
[M+K]+ 341.162588 174.5
[M+H-H2O]+ 285.196690 166.2
[M+HCOO]- 347.197631 192.4
[M+CH3COO]- 361.213281 207.8
[M+Na-2H]- 323.174096 174.8
[M]+ 302.19888142 172.0
[M]- 302.19997858 172.0
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.