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]+ 305.22238 176.5
[M+Na]+ 327.20432 180.6
[M-H]- 303.20782 179.6
[M+NH4]+ 322.24892 189.4
[M+K]+ 343.17826 176.5
[M+H-H2O]+ 287.21236 168.1
[M+HCOO]- 349.21330 192.9
[M+CH3COO]- 363.22895 208.4
[M+Na-2H]- 325.18977 175.3
[M]+ 304.21455 173.6
[M]- 304.21565 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.