CID 3073600

150985-46-9

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₂

SMILES

COC1=CC2=C(C=C1)C=C(O2)C3=NC=CN3

InChI

InChI=1S/C12H10N2O2/c1-15-9-3-2-8-6-11(16-10(8)7-9)12-13-4-5-14-12/h2-7H,1H3,(H,13,14)

InChIKey

VLSFNAIEDWIDOL-UHFFFAOYSA-N

Compound name

2-(6-methoxy-1-benzofuran-2-yl)-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 214.07423 Da
Monoisotopic Mass: 2.1
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]+	215.081506	142.5
[M+Na]+	237.063448	153.8
[M-H]-	213.066954	148.3
[M+NH4]+	232.108053	161.4
[M+K]+	253.037388	151.0
[M+H-H2O]+	197.071490	135.7
[M+HCOO]-	259.072431	165.9
[M+CH3COO]-	273.088081	156.8
[M+Na-2H]-	235.048896	148.9
[M]+	214.07368142	146.3
[M]-	214.07477858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe