CID 673719

N-(4-acetylphenyl)furan-2-carboxamide

Structural Information

Molecular Formula
C13H11NO3
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2
InChI
InChI=1S/C13H11NO3/c1-9(15)10-4-6-11(7-5-10)14-13(16)12-3-2-8-17-12/h2-8H,1H3,(H,14,16)
InChIKey
BIHZHGIQNFROFX-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.081176 150.0
[M+Na]+ 252.063118 157.0
[M-H]- 228.066624 157.8
[M+NH4]+ 247.107723 167.8
[M+K]+ 268.037058 155.9
[M+H-H2O]+ 212.071160 143.2
[M+HCOO]- 274.072101 174.7
[M+CH3COO]- 288.087751 190.5
[M+Na-2H]- 250.048566 154.2
[M]+ 229.07335142 151.4
[M]- 229.07444858 151.4
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

No patent data available for this compound.