CID 44258379

Muxiangrine ii

Structural Information

Molecular Formula

C₂₂H₂₀O₆

SMILES

CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)OC

InChI

InChI=1S/C22H20O6/c1-11-16(26-4)10-18-19(20(11)25)14(23)9-17(27-18)13-7-12-5-6-22(2,3)28-21(12)15(24)8-13/h5-10,24-25H,1-4H3

InChIKey

WVODPTIXOWVJNY-UHFFFAOYSA-N

Compound name

5-hydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-7-methoxy-6-methylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 380.12598 Da
Monoisotopic Mass: 4.3
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]+	381.133256	189.7
[M+Na]+	403.115198	201.5
[M-H]-	379.118704	198.7
[M+NH4]+	398.159803	202.4
[M+K]+	419.089138	199.8
[M+H-H2O]+	363.123240	181.0
[M+HCOO]-	425.124181	205.2
[M+CH3COO]-	439.139831	201.1
[M+Na-2H]-	401.100646	194.7
[M]+	380.12543142	196.7
[M]-	380.12652858	196.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.