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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13326 189.7
[M+Na]+ 403.11520 201.5
[M-H]- 379.11870 198.7
[M+NH4]+ 398.15980 202.4
[M+K]+ 419.08914 199.8
[M+H-H2O]+ 363.12324 181.0
[M+HCOO]- 425.12418 205.2
[M+CH3COO]- 439.13983 201.1
[M+Na-2H]- 401.10065 194.7
[M]+ 380.12543 196.7
[M]- 380.12653 196.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.