CID 121414

Alpha-piperidinyl-n-(2,4-dimethylbenzyl)propionamide hydrochloride

Structural Information

Molecular Formula
C17H26N2O
SMILES
CC1=CC(=C(C=C1)CNC(=O)C(C)N2CCCCC2)C
InChI
InChI=1S/C17H26N2O/c1-13-7-8-16(14(2)11-13)12-18-17(20)15(3)19-9-5-4-6-10-19/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20)
InChIKey
CPLBANMFCCYZHA-UHFFFAOYSA-N
Compound name
N-[(2,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 168.6
[M+Na]+ 297.19372 171.6
[M-H]- 273.19722 172.7
[M+NH4]+ 292.23832 182.9
[M+K]+ 313.16766 168.4
[M+H-H2O]+ 257.20176 160.0
[M+HCOO]- 319.20270 185.8
[M+CH3COO]- 333.21835 204.1
[M+Na-2H]- 295.17917 168.7
[M]+ 274.20395 164.4
[M]- 274.20505 164.4
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.