CID 5276308

5-chloro-n-[2-[(2s,6r)-2,6-dimethyl-1-piperidyl]ethyl]-2-hydroxy-benzamide

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
C[C@@H]1CCC[C@@H](N1CCNC(=O)C2=C(C=CC(=C2)Cl)O)C
InChI
InChI=1S/C16H23ClN2O2/c1-11-4-3-5-12(2)19(11)9-8-18-16(21)14-10-13(17)6-7-15(14)20/h6-7,10-12,20H,3-5,8-9H2,1-2H3,(H,18,21)/t11-,12+
InChIKey
NIPOBYSNDBDJRN-TXEJJXNPSA-N
Compound name
5-chloro-N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15208 173.8
[M+Na]+ 333.13402 179.6
[M-H]- 309.13752 177.1
[M+NH4]+ 328.17862 187.4
[M+K]+ 349.10796 174.2
[M+H-H2O]+ 293.14206 166.5
[M+HCOO]- 355.14300 186.4
[M+CH3COO]- 369.15865 206.1
[M+Na-2H]- 331.11947 173.3
[M]+ 310.14425 172.5
[M]- 310.14535 172.5
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.