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]+ 250.18016 161.5
[M+Na]+ 272.16210 165.5
[M-H]- 248.16560 163.9
[M+NH4]+ 267.20670 178.2
[M+K]+ 288.13604 162.9
[M+H-H2O]+ 232.17014 154.1
[M+HCOO]- 294.17108 184.8
[M+CH3COO]- 308.18673 197.6
[M+Na-2H]- 270.14755 165.5
[M]+ 249.17233 164.3
[M]- 249.17343 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.