CID 42607829

Ovalichromene

Structural Information

Molecular Formula

C₂₁H₂₀O₄

SMILES

CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)CC(O3)C4=CC=CC=C4)C

InChI

InChI=1S/C21H20O4/c1-21(2)10-9-14-19-15(11-18(23-3)20(14)25-21)16(22)12-17(24-19)13-7-5-4-6-8-13/h4-11,17H,12H2,1-3H3

InChIKey

NNVQEIPRIPRHHU-UHFFFAOYSA-N

Compound name

6-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 336.13617 Da
Monoisotopic Mass: 3.8
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]+	337.143446	178.9
[M+Na]+	359.125388	188.0
[M-H]-	335.128894	188.8
[M+NH4]+	354.169993	194.0
[M+K]+	375.099328	186.2
[M+H-H2O]+	319.133430	169.7
[M+HCOO]-	381.134371	194.8
[M+CH3COO]-	395.150021	190.4
[M+Na-2H]-	357.110836	185.0
[M]+	336.13562142	181.8
[M]-	336.13671858	181.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.