CID 881881

83490-13-5

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₂

SMILES

CN1C2=CC=CC=C2N=C1C3=CC=C(O3)C=O

InChI

InChI=1S/C13H10N2O2/c1-15-11-5-3-2-4-10(11)14-13(15)12-7-6-9(8-16)17-12/h2-8H,1H3

InChIKey

ZDCNWNJMCTVNCE-UHFFFAOYSA-N

Compound name

5-(1-methylbenzimidazol-2-yl)furan-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 226.07423 Da
Monoisotopic Mass: 2.0
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]+	227.081506	146.5
[M+Na]+	249.063448	158.9
[M-H]-	225.066954	153.8
[M+NH4]+	244.108053	165.7
[M+K]+	265.037388	156.1
[M+H-H2O]+	209.071490	139.6
[M+HCOO]-	271.072431	171.1
[M+CH3COO]-	285.088081	161.4
[M+Na-2H]-	247.048896	151.9
[M]+	226.07368142	152.1
[M]-	226.07477858	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.