CID 44257390

Kievitol

Structural Information

Molecular Formula

C₂₀H₂₀O₇

SMILES

C/C(=C\CC1=C2C(=C(C=C1O)O)C(=O)C(CO2)C3=C(C=C(C=C3)O)O)/CO

InChI

InChI=1S/C20H20O7/c1-10(8-21)2-4-13-16(24)7-17(25)18-19(26)14(9-27-20(13)18)12-5-3-11(22)6-15(12)23/h2-3,5-7,14,21-25H,4,8-9H2,1H3/b10-2+

InChIKey

VNIOZYSNZVSDPU-WTDSWWLTSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 372.1209 Da
Monoisotopic Mass: 2.9
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]+	373.128176	185.9
[M+Na]+	395.110118	192.7
[M-H]-	371.113624	188.1
[M+NH4]+	390.154723	194.7
[M+K]+	411.084058	188.9
[M+H-H2O]+	355.118160	178.7
[M+HCOO]-	417.119101	197.0
[M+CH3COO]-	431.134751	210.8
[M+Na-2H]-	393.095566	185.0
[M]+	372.12035142	185.6
[M]-	372.12144858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe