CID 459474

Schembl15773542

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

CC1=NC2=C(N1)C=C3C4=CC=CC=C4OC3=C2

InChI

InChI=1S/C14H10N2O/c1-8-15-11-6-10-9-4-2-3-5-13(9)17-14(10)7-12(11)16-8/h2-7H,1H3,(H,15,16)

InChIKey

CPNYSSLDZUAUSV-UHFFFAOYSA-N

Compound name

2-methyl-3H-[1]benzofuro[2,3-f]benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 222.07932 Da
Monoisotopic Mass: 3.6
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]+	223.08660	145.2
[M+Na]+	245.06854	159.1
[M-H]-	221.07204	150.3
[M+NH4]+	240.11314	166.4
[M+K]+	261.04248	154.2
[M+H-H2O]+	205.07658	139.1
[M+HCOO]-	267.07752	167.2
[M+CH3COO]-	281.09317	159.9
[M+Na-2H]-	243.05399	153.6
[M]+	222.07877	150.2
[M]-	222.07987	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe