CID 3063731

Cyclohexanecarboxanilide, 3',4',5'-trimethoxy-

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]+ 294.17000 168.0
[M+Na]+ 316.15194 172.3
[M-H]- 292.15544 174.0
[M+NH4]+ 311.19654 183.0
[M+K]+ 332.12588 170.9
[M+H-H2O]+ 276.15998 160.0
[M+HCOO]- 338.16092 188.4
[M+CH3COO]- 352.17657 205.2
[M+Na-2H]- 314.13739 169.3
[M]+ 293.16217 168.3
[M]- 293.16327 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.