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]+ 230.08118 150.0
[M+Na]+ 252.06312 157.0
[M-H]- 228.06662 157.8
[M+NH4]+ 247.10772 167.8
[M+K]+ 268.03706 155.9
[M+H-H2O]+ 212.07116 143.2
[M+HCOO]- 274.07210 174.7
[M+CH3COO]- 288.08775 190.5
[M+Na-2H]- 250.04857 154.2
[M]+ 229.07335 151.4
[M]- 229.07445 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.