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-[(2S,6R)-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]+ 325.16774 178.3
[M+Na]+ 347.14968 183.7
[M-H]- 323.15318 181.4
[M+NH4]+ 342.19428 191.3
[M+K]+ 363.12362 178.0
[M+H-H2O]+ 307.15772 170.8
[M+HCOO]- 369.15866 190.6
[M+CH3COO]- 383.17431 209.0
[M+Na-2H]- 345.13513 177.2
[M]+ 324.15991 177.3
[M]- 324.16101 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.