CID 3044664

Brn 0488507

Structural Information

Molecular Formula
C17H24N2O3
SMILES
CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)NC(=O)C
InChI
InChI=1S/C17H24N2O3/c1-3-22-16(21)17(18-14(2)20)9-11-19(12-10-17)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,18,20)
InChIKey
XXICPKDKEPPEPK-UHFFFAOYSA-N
Compound name
ethyl 4-acetamido-1-benzylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.17868 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.185956 173.3
[M+Na]+ 327.167898 176.5
[M-H]- 303.171404 177.3
[M+NH4]+ 322.212503 187.9
[M+K]+ 343.141838 174.3
[M+H-H2O]+ 287.175940 164.9
[M+HCOO]- 349.176881 191.1
[M+CH3COO]- 363.192531 205.2
[M+Na-2H]- 325.153346 175.4
[M]+ 304.17813142 171.2
[M]- 304.17922858 171.2
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.