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]+	239.081506	150.3
[M+Na]+	261.063448	160.4
[M-H]-	237.066954	158.0
[M+NH4]+	256.108053	167.6
[M+K]+	277.037388	157.1
[M+H-H2O]+	221.071490	142.8
[M+HCOO]-	283.072431	174.6
[M+CH3COO]-	297.088081	164.0
[M+Na-2H]-	259.048896	157.3
[M]+	238.07368142	152.3
[M]-	238.07477858	152.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe