CID 6760

Skimmianine

Structural Information

Molecular Formula

C₁₄H₁₃NO₄

SMILES

COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC

InChI

InChI=1S/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3

InChIKey

SLSIBLKBHNKZTB-UHFFFAOYSA-N

Compound name

4,7,8-trimethoxyfuro[2,3-b]quinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 59
References: 229
Patents: 259.08447 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]+	260.09175	154.2
[M+Na]+	282.07369	169.8
[M+NH4]+	277.11829	162.8
[M+K]+	298.04763	165.1
[M-H]-	258.07719	157.9
[M+Na-2H]-	280.05914	159.9
[M]+	259.08392	157.6
[M]-	259.08502	157.6

Literature stripe

literature stripe

Patent stripe

patents stripe