CID 10776291

301538-69-2

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C2C(=C1)C(=C(O2)C(=O)C3=CC=NC=C3)N

InChI

InChI=1S/C14H10N2O2/c15-12-10-3-1-2-4-11(10)18-14(12)13(17)9-5-7-16-8-6-9/h1-8H,15H2

InChIKey

RQHPIGKVUAOAMT-UHFFFAOYSA-N

Compound name

(3-amino-1-benzofuran-2-yl)-pyridin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.07423 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.08151	150.3
[M+Na]+	261.06345	160.4
[M-H]-	237.06695	158.0
[M+NH4]+	256.10805	167.6
[M+K]+	277.03739	157.1
[M+H-H2O]+	221.07149	142.8
[M+HCOO]-	283.07243	174.6
[M+CH3COO]-	297.08808	164.0
[M+Na-2H]-	259.04890	157.3
[M]+	238.07368	152.3
[M]-	238.07478	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe