CID 21721850

Sanggenone h [m+h]+

Structural Information

Molecular Formula

C₂₀H₁₈O₆

SMILES

CC1(C=CC2=C(C=CC(=C2O1)C3CC(=O)C4=C(C=C(C=C4O3)O)O)O)C

InChI

InChI=1S/C20H18O6/c1-20(2)6-5-11-13(22)4-3-12(19(11)26-20)16-9-15(24)18-14(23)7-10(21)8-17(18)25-16/h3-8,16,21-23H,9H2,1-2H3

InChIKey

QPAKXSCQEJXHSW-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-(5-hydroxy-2,2-dimethylchromen-8-yl)-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 354.11035 Da
Monoisotopic Mass: 3.3
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]+	355.117626	181.7
[M+Na]+	377.099568	191.3
[M-H]-	353.103074	188.6
[M+NH4]+	372.144173	194.4
[M+K]+	393.073508	189.2
[M+H-H2O]+	337.107610	173.9
[M+HCOO]-	399.108551	193.7
[M+CH3COO]-	413.124201	192.1
[M+Na-2H]-	375.085016	186.4
[M]+	354.10980142	183.3
[M]-	354.11089858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe