CID 119269

Kievitone

Structural Information

Molecular Formula

C₂₀H₂₀O₆

SMILES

CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)C

InChI

InChI=1S/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3

InChIKey

MERHMOCEIBOOMA-UHFFFAOYSA-N

Compound name

3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 7
References: 94
Patents: 356.12598 Da
Monoisotopic Mass: 4.1
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]+	357.133256	183.0
[M+Na]+	379.115198	190.5
[M-H]-	355.118704	186.6
[M+NH4]+	374.159803	193.3
[M+K]+	395.089138	186.6
[M+H-H2O]+	339.123240	175.8
[M+HCOO]-	401.124181	195.4
[M+CH3COO]-	415.139831	210.2
[M+Na-2H]-	377.100646	182.3
[M]+	356.12543142	182.9
[M]-	356.12652858	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe