CID 1734132

N-heptyl-2-phenoxyacetamide

Structural Information

Molecular Formula
C15H23NO2
SMILES
CCCCCCCNC(=O)COC1=CC=CC=C1
InChI
InChI=1S/C15H23NO2/c1-2-3-4-5-9-12-16-15(17)13-18-14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3,(H,16,17)
InChIKey
JUWWOPZBDQUPAU-UHFFFAOYSA-N
Compound name
N-heptyl-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 161.5
[M+Na]+ 272.162098 165.5
[M-H]- 248.165604 163.9
[M+NH4]+ 267.206703 178.2
[M+K]+ 288.136038 162.9
[M+H-H2O]+ 232.170140 154.1
[M+HCOO]- 294.171081 184.8
[M+CH3COO]- 308.186731 197.6
[M+Na-2H]- 270.147546 165.5
[M]+ 249.17233142 164.3
[M]- 249.17342858 164.3
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.