CID 3078868

2-piperidinecarboxamide, 1-butyl-n-(2,6-dimethylphenyl)-6-methyl-, hydrochloride, cis-

Structural Information

Molecular Formula
C19H30N2O
SMILES
CCCCN1[C@H](CCC[C@H]1C(=O)NC2=C(C=CC=C2C)C)C
InChI
InChI=1S/C19H30N2O/c1-5-6-13-21-16(4)11-8-12-17(21)19(22)20-18-14(2)9-7-10-15(18)3/h7,9-10,16-17H,5-6,8,11-13H2,1-4H3,(H,20,22)/t16-,17-/m0/s1
InChIKey
NMRYOCFGOSXYHW-IRXDYDNUSA-N
Compound name
(2S,6S)-1-butyl-N-(2,6-dimethylphenyl)-6-methylpiperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2358 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.24308 177.4
[M+Na]+ 325.22502 181.7
[M-H]- 301.22852 181.8
[M+NH4]+ 320.26962 191.2
[M+K]+ 341.19896 177.5
[M+H-H2O]+ 285.23306 168.7
[M+HCOO]- 347.23400 194.8
[M+CH3COO]- 361.24965 211.7
[M+Na-2H]- 323.21047 176.1
[M]+ 302.23525 175.4
[M]- 302.23635 175.4
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.