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

7
Patents

229.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 150.6
[M+Na]+ 252.06312 162.2
[M+NH4]+ 247.10772 158.0
[M+K]+ 268.03706 158.9
[M-H]- 228.06662 155.0
[M+Na-2H]- 250.04857 157.3
[M]+ 229.07335 153.3
[M]- 229.07445 153.3
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