CID 5274425

Chembl180170

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
C1CCC(CC1)CCC(=O)N(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C15H20ClNO2/c16-13-7-9-14(10-8-13)17(19)15(18)11-6-12-4-2-1-3-5-12/h7-10,12,19H,1-6,11H2
InChIKey
AVOFGUNFEVEZLG-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-3-cyclohexyl-N-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.11826 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 165.0
[M+Na]+ 304.10748 168.7
[M-H]- 280.11098 170.3
[M+NH4]+ 299.15208 180.8
[M+K]+ 320.08142 164.7
[M+H-H2O]+ 264.11552 158.1
[M+HCOO]- 326.11646 179.9
[M+CH3COO]- 340.13211 200.1
[M+Na-2H]- 302.09293 166.3
[M]+ 281.11771 162.9
[M]- 281.11881 162.9
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.