CID 11346860

Glabone

Structural Information

Molecular Formula

C₁₈H₁₂O₄

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C4C(=C3)C=CO4

InChI

InChI=1S/C18H12O4/c1-20-13-4-2-11(3-5-13)17-9-15(19)14-8-12-6-7-21-16(12)10-18(14)22-17/h2-10H,1H3

InChIKey

WXBAKLJXQYICHT-UHFFFAOYSA-N

Compound name

7-(4-methoxyphenyl)furo[3,2-g]chromen-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 292.07355 Da
Monoisotopic Mass: 3.6
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]+	293.08083	162.5
[M+Na]+	315.06277	175.0
[M-H]-	291.06627	174.0
[M+NH4]+	310.10737	179.5
[M+K]+	331.03671	172.9
[M+H-H2O]+	275.07081	155.5
[M+HCOO]-	337.07175	186.2
[M+CH3COO]-	351.08740	177.1
[M+Na-2H]-	313.04822	170.8
[M]+	292.07300	170.4
[M]-	292.07410	170.4

Literature stripe

literature stripe

Patent stripe

patents stripe