CID 836149

N-cyclohexyl-3,4,5-trimethoxybenzamide

Structural Information

Molecular Formula
C16H23NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCCC2
InChI
InChI=1S/C16H23NO4/c1-19-13-9-11(10-14(20-2)15(13)21-3)16(18)17-12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,17,18)
InChIKey
BPWZQWPIHMSFMM-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.16272 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

patents stripe