CID 68061

Isoacronycidin

Structural Information

Molecular Formula

C₁₅H₁₅NO₅

SMILES

CN1C2=C(C(=CC(=C2OC)OC)OC)C(=O)C3=C1OC=C3

InChI

InChI=1S/C15H15NO5/c1-16-12-11(13(17)8-5-6-21-15(8)16)9(18-2)7-10(19-3)14(12)20-4/h5-7H,1-4H3

InChIKey

JDSSUKRVTPIYBN-UHFFFAOYSA-N

Compound name

5,7,8-trimethoxy-9-methylfuro[2,3-b]quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.09503 Da
Monoisotopic Mass: 2.4
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]+	290.102306	160.9
[M+Na]+	312.084248	174.6
[M-H]-	288.087754	167.8
[M+NH4]+	307.128853	179.0
[M+K]+	328.058188	173.1
[M+H-H2O]+	272.092290	154.4
[M+HCOO]-	334.093231	184.1
[M+CH3COO]-	348.108881	203.8
[M+Na-2H]-	310.069696	167.1
[M]+	289.09448142	172.6
[M]-	289.09557858	172.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.