CID 5276306

Chembl43281

Structural Information

Molecular Formula
C17H25ClN2O2
SMILES
C[C@@H]1CCC[C@@H](N1CCCNC(=O)C2=C(C=CC(=C2)Cl)O)C
InChI
InChI=1S/C17H25ClN2O2/c1-12-5-3-6-13(2)20(12)10-4-9-19-17(22)15-11-14(18)7-8-16(15)21/h7-8,11-13,21H,3-6,9-10H2,1-2H3,(H,19,22)/t12-,13+
InChIKey
KBEKUTXHADFHON-BETUJISGSA-N
Compound name
5-chloro-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.16046 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.167736 178.3
[M+Na]+ 347.149678 183.7
[M-H]- 323.153184 181.4
[M+NH4]+ 342.194283 191.3
[M+K]+ 363.123618 178.0
[M+H-H2O]+ 307.157720 170.8
[M+HCOO]- 369.158661 190.6
[M+CH3COO]- 383.174311 209.0
[M+Na-2H]- 345.135126 177.2
[M]+ 324.15991142 177.3
[M]- 324.16100858 177.3
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.