CID 3564332

N-(3,4-dimethoxybenzyl)octanamide

Structural Information

Molecular Formula
C17H27NO3
SMILES
CCCCCCCC(=O)NCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C17H27NO3/c1-4-5-6-7-8-9-17(19)18-13-14-10-11-15(20-2)16(12-14)21-3/h10-12H,4-9,13H2,1-3H3,(H,18,19)
InChIKey
PDNJQJUFMCECTJ-UHFFFAOYSA-N
Compound name
N-[(3,4-dimethoxyphenyl)methyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.1991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.20638 172.9
[M+Na]+ 316.18832 177.7
[M-H]- 292.19182 175.7
[M+NH4]+ 311.23292 188.4
[M+K]+ 332.16226 175.4
[M+H-H2O]+ 276.19636 165.3
[M+HCOO]- 338.19730 195.6
[M+CH3COO]- 352.21295 208.0
[M+Na-2H]- 314.17377 174.4
[M]+ 293.19855 178.6
[M]- 293.19965 178.6
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

patents stripe