CID 736959

N-cyclohexyl-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2CCCCC2)OC
InChI
InChI=1S/C15H21NO3/c1-18-13-9-8-11(10-14(13)19-2)15(17)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H,16,17)
InChIKey
QPJQDANJFGRQFO-UHFFFAOYSA-N
Compound name
N-cyclohexyl-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

263.15213 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.0
[M+Na]+ 286.141348 164.9
[M-H]- 262.144854 166.7
[M+NH4]+ 281.185953 176.9
[M+K]+ 302.115288 163.0
[M+H-H2O]+ 246.149390 153.1
[M+HCOO]- 308.150331 181.5
[M+CH3COO]- 322.165981 198.8
[M+Na-2H]- 284.126796 163.3
[M]+ 263.15158142 159.0
[M]- 263.15267858 159.0
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