CID 315777

N-(3-acetylphenyl)furan-2-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

9
Patents

229.0739 Da
Monoisotopic Mass

1.8
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

patents stripe