CID 5276307

Chembl288104

Structural Information

Molecular Formula
C18H28N2O2
SMILES
C[C@@H]1CCC[C@@H](N1CCCNC(=O)C2=C(C=CC(=C2)C)O)C
InChI
InChI=1S/C18H28N2O2/c1-13-8-9-17(21)16(12-13)18(22)19-10-5-11-20-14(2)6-4-7-15(20)3/h8-9,12,14-15,21H,4-7,10-11H2,1-3H3,(H,19,22)/t14-,15+
InChIKey
REVNRPOGHTTZEV-GASCZTMLSA-N
Compound name
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propyl]-2-hydroxy-5-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.222376 176.5
[M+Na]+ 327.204318 180.6
[M-H]- 303.207824 179.6
[M+NH4]+ 322.248923 189.4
[M+K]+ 343.178258 176.5
[M+H-H2O]+ 287.212360 168.1
[M+HCOO]- 349.213301 192.9
[M+CH3COO]- 363.228951 208.4
[M+Na-2H]- 325.189766 175.3
[M]+ 304.21455142 173.6
[M]- 304.21564858 173.6
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.