CID 45026

63887-14-9

Structural Information

Molecular Formula
C16H23NO4
SMILES
C1CCC(CC1)NC(=O)C2=CC=CC=C2OCC(CO)O
InChI
InChI=1S/C16H23NO4/c18-10-13(19)11-21-15-9-5-4-8-14(15)16(20)17-12-6-2-1-3-7-12/h4-5,8-9,12-13,18-19H,1-3,6-7,10-11H2,(H,17,20)
InChIKey
COMXLJMCXIJWOR-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-(2,3-dihydroxypropoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 168.7
[M+Na]+ 316.151938 169.9
[M-H]- 292.155444 171.1
[M+NH4]+ 311.196543 181.5
[M+K]+ 332.125878 167.3
[M+H-H2O]+ 276.159980 160.9
[M+HCOO]- 338.160921 185.1
[M+CH3COO]- 352.176571 198.9
[M+Na-2H]- 314.137386 169.2
[M]+ 293.16217142 163.8
[M]- 293.16326858 163.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.