CID 13965870

Honyudisin

Structural Information

Molecular Formula

C₁₉H₂₀O₄

SMILES

CC(=CCC1=C2C(=C3C(=C1O)C=CC(=O)O3)C=CC(O2)(C)C)C

InChI

InChI=1S/C19H20O4/c1-11(2)5-6-13-16(21)12-7-8-15(20)22-17(12)14-9-10-19(3,4)23-18(13)14/h5,7-10,21H,6H2,1-4H3

InChIKey

QMEMHCMQAQFMEL-UHFFFAOYSA-N

Compound name

5-hydroxy-8,8-dimethyl-6-(3-methylbut-2-enyl)pyrano[2,3-f]chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 312.13617 Da
Monoisotopic Mass: 4.4
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]+	313.143446	171.9
[M+Na]+	335.125388	182.3
[M-H]-	311.128894	178.1
[M+NH4]+	330.169993	188.1
[M+K]+	351.099328	180.1
[M+H-H2O]+	295.133430	165.2
[M+HCOO]-	357.134371	187.9
[M+CH3COO]-	371.150021	207.5
[M+Na-2H]-	333.110836	177.7
[M]+	312.13562142	176.8
[M]-	312.13671858	176.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.