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]+ 317.25874 181.6
[M+Na]+ 339.24068 186.5
[M-H]- 315.24418 186.2
[M+NH4]+ 334.28528 195.2
[M+K]+ 355.21462 182.1
[M+H-H2O]+ 299.24872 173.1
[M+HCOO]- 361.24966 198.7
[M+CH3COO]- 375.26531 216.0
[M+Na-2H]- 337.22613 179.2
[M]+ 316.25091 180.4
[M]- 316.25201 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.