CID 442913

Isodictamnine

Structural Information

Molecular Formula

C₁₂H₉NO₂

SMILES

CN1C2=CC=CC=C2C(=O)C3=C1OC=C3

InChI

InChI=1S/C12H9NO2/c1-13-10-5-3-2-4-8(10)11(14)9-6-7-15-12(9)13/h2-7H,1H3

InChIKey

FUVCJKNEOUWLPI-UHFFFAOYSA-N

Compound name

9-methylfuro[2,3-b]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 199.06332 Da
Monoisotopic Mass: 2.5
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]+	200.070596	137.3
[M+Na]+	222.052538	150.5
[M-H]-	198.056044	143.6
[M+NH4]+	217.097143	158.6
[M+K]+	238.026478	147.5
[M+H-H2O]+	182.060580	131.3
[M+HCOO]-	244.061521	161.2
[M+CH3COO]-	258.077171	152.9
[M+Na-2H]-	220.037986	147.0
[M]+	199.06277142	142.5
[M]-	199.06386858	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe