CID 159650

Pteleine

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

COC1=CC2=C(C=C1)N=C3C(=C2OC)C=CO3

InChI

InChI=1S/C13H11NO3/c1-15-8-3-4-11-10(7-8)12(16-2)9-5-6-17-13(9)14-11/h3-7H,1-2H3

InChIKey

ALLQMEDAYDKMIO-UHFFFAOYSA-N

Compound name

4,6-dimethoxyfuro[2,3-b]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 229.0739 Da
Monoisotopic Mass: 2.9
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]+	230.08118	146.2
[M+Na]+	252.06312	162.2
[M+NH4]+	247.10772	155.6
[M+K]+	268.03706	156.9
[M-H]-	228.06662	150.4
[M+Na-2H]-	250.04857	152.9
[M]+	229.07335	149.9
[M]-	229.07445	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe