CID 15160715

Ovalifolin

Structural Information

Molecular Formula

C₂₂H₁₈O₄

SMILES

CC(=CCOC1=C2C(=C3C(=C1)C(=O)C=C(O3)C4=CC=CC=C4)C=CO2)C

InChI

InChI=1S/C22H18O4/c1-14(2)8-10-24-20-12-17-18(23)13-19(15-6-4-3-5-7-15)26-21(17)16-9-11-25-22(16)20/h3-9,11-13H,10H2,1-2H3

InChIKey

VZSKLDHXYLNZMO-UHFFFAOYSA-N

Compound name

6-(3-methylbut-2-enoxy)-2-phenylfuro[2,3-h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 20
Patents: 346.1205 Da
Monoisotopic Mass: 5.1
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]+	347.12778	181.7
[M+Na]+	369.10972	192.3
[M-H]-	345.11322	192.5
[M+NH4]+	364.15432	196.3
[M+K]+	385.08366	189.3
[M+H-H2O]+	329.11776	174.1
[M+HCOO]-	391.11870	203.1
[M+CH3COO]-	405.13435	194.3
[M+Na-2H]-	367.09517	186.5
[M]+	346.11995	189.4
[M]-	346.12105	189.4

Literature stripe

literature stripe

Patent stripe

patents stripe