CID 3040023

51491-46-4

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCCNC(=O)C1CC(CN(C1)C)C2=CC=CC=C2
InChI
InChI=1S/C17H26N2O/c1-3-4-10-18-17(20)16-11-15(12-19(2)13-16)14-8-6-5-7-9-14/h5-9,15-16H,3-4,10-13H2,1-2H3,(H,18,20)
InChIKey
BPYIVFXAMJLNFW-UHFFFAOYSA-N
Compound name
N-butyl-1-methyl-5-phenylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 168.6
[M+Na]+ 297.19372 171.8
[M-H]- 273.19722 172.5
[M+NH4]+ 292.23832 182.9
[M+K]+ 313.16766 168.1
[M+H-H2O]+ 257.20176 159.7
[M+HCOO]- 319.20270 186.7
[M+CH3COO]- 333.21835 203.2
[M+Na-2H]- 295.17917 169.8
[M]+ 274.20395 165.0
[M]- 274.20505 165.0
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.