CID 3078870

2-piperidinecarboxamide, 1-butyl-6-methyl-n-(2,4,6-trimethylphenyl)-, monohydrochloride, cis-

Structural Information

Molecular Formula
C20H32N2O
SMILES
CCCCN1[C@H](CCC[C@H]1C(=O)NC2=C(C=C(C=C2C)C)C)C
InChI
InChI=1S/C20H32N2O/c1-6-7-11-22-17(5)9-8-10-18(22)20(23)21-19-15(3)12-14(2)13-16(19)4/h12-13,17-18H,6-11H2,1-5H3,(H,21,23)/t17-,18-/m0/s1
InChIKey
KYGSUOUHFLQWCP-ROUUACIJSA-N
Compound name
(2S,6S)-1-butyl-6-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.25146 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.258736 181.6
[M+Na]+ 339.240678 186.5
[M-H]- 315.244184 186.2
[M+NH4]+ 334.285283 195.2
[M+K]+ 355.214618 182.1
[M+H-H2O]+ 299.248720 173.1
[M+HCOO]- 361.249661 198.7
[M+CH3COO]- 375.265311 216.0
[M+Na-2H]- 337.226126 179.2
[M]+ 316.25091142 180.4
[M]- 316.25200858 180.4
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.