CID 12305449

Kanjone

Structural Information

Molecular Formula

C₁₈H₁₂O₄

SMILES

COC1=C2C(=C3C(=C1)C(=O)C=C(O3)C4=CC=CC=C4)C=CO2

InChI

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

InChIKey

OVAZJVLXWGEKHQ-UHFFFAOYSA-N

Compound name

6-methoxy-2-phenylfuro[2,3-h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33
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