CID 3063731

101564-24-3

Structural Information

Molecular Formula
C16H23NO4
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)C2CCCCC2
InChI
InChI=1S/C16H23NO4/c1-19-13-9-12(10-14(20-2)15(13)21-3)17-16(18)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKey
YAUNCTIWDIAWFL-UHFFFAOYSA-N
Compound name
N-(3,4,5-trimethoxyphenyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 168.0
[M+Na]+ 316.151938 172.3
[M-H]- 292.155444 174.0
[M+NH4]+ 311.196543 183.0
[M+K]+ 332.125878 170.9
[M+H-H2O]+ 276.159980 160.0
[M+HCOO]- 338.160921 188.4
[M+CH3COO]- 352.176571 205.2
[M+Na-2H]- 314.137386 169.3
[M]+ 293.16217142 168.3
[M]- 293.16326858 168.3
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.