CID 5276309

Benzamide, n-[2-[(2r,6s)-2,6-dimethyl-1-piperidinyl]ethyl]-2-hydroxy-5-methyl-

Structural Information

Molecular Formula
C17H26N2O2
SMILES
C[C@@H]1CCC[C@@H](N1CCNC(=O)C2=C(C=CC(=C2)C)O)C
InChI
InChI=1S/C17H26N2O2/c1-12-7-8-16(20)15(11-12)17(21)18-9-10-19-13(2)5-4-6-14(19)3/h7-8,11,13-14,20H,4-6,9-10H2,1-3H3,(H,18,21)/t13-,14+
InChIKey
FCQRLPVCRQVUFY-OKILXGFUSA-N
Compound name
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-hydroxy-5-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 172.0
[M+Na]+ 313.188648 176.6
[M-H]- 289.192154 175.4
[M+NH4]+ 308.233253 185.5
[M+K]+ 329.162588 172.7
[M+H-H2O]+ 273.196690 163.8
[M+HCOO]- 335.197631 188.8
[M+CH3COO]- 349.213281 205.4
[M+Na-2H]- 311.174096 171.4
[M]+ 290.19888142 168.8
[M]- 290.19997858 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.