CID 240163

N-(2-furylmethyl)-2-phenoxyacetamide

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1=CC=C(C=C1)OCC(=O)NCC2=CC=CO2
InChI
InChI=1S/C13H13NO3/c15-13(14-9-12-7-4-8-16-12)10-17-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,14,15)
InChIKey
SNFGMJAFFUHSIT-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethyl)-2-phenoxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

231.08954 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 150.4
[M+Na]+ 254.078758 156.5
[M-H]- 230.082264 157.7
[M+NH4]+ 249.123363 168.0
[M+K]+ 270.052698 155.4
[M+H-H2O]+ 214.086800 143.2
[M+HCOO]- 276.087741 175.9
[M+CH3COO]- 290.103391 189.2
[M+Na-2H]- 252.064206 156.6
[M]+ 231.08899142 152.7
[M]- 231.09008858 152.7
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