CID 44258378

Muxiangrine iii

Structural Information

Molecular Formula
C23H24O6
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC(=C(C(=C3)O)O)CC=C(C)C)O
InChI
InChI=1S/C23H24O6/c1-11(2)6-7-14-8-15(9-17(25)21(14)27)18-10-16(24)19-20(26)12(3)22(28-5)13(4)23(19)29-18/h6,8-10,25-27H,7H2,1-5H3
InChIKey
PCAHZXLEUZEBMU-UHFFFAOYSA-N
Compound name
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5-hydroxy-7-methoxy-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.1573 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.16458 194.8
[M+Na]+ 419.14652 205.0
[M-H]- 395.15002 200.8
[M+NH4]+ 414.19112 204.9
[M+K]+ 435.12046 201.4
[M+H-H2O]+ 379.15456 186.9
[M+HCOO]- 441.15550 210.4
[M+CH3COO]- 455.17115 223.3
[M+Na-2H]- 417.13197 193.3
[M]+ 396.15675 201.1
[M]- 396.15785 201.1
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.