CID 44258380

Muxiangrine i

Structural Information

Molecular Formula
C23H22O6
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC4=C(C(=C3)O)OC(C=C4)(C)C)O
InChI
InChI=1S/C23H22O6/c1-11-19(26)18-15(24)10-17(28-21(18)12(2)20(11)27-5)14-8-13-6-7-23(3,4)29-22(13)16(25)9-14/h6-10,25-26H,1-5H3
InChIKey
PVTASJQBVPOLER-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-7-methoxy-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.14163 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.14891 194.4
[M+Na]+ 417.13085 206.6
[M-H]- 393.13435 203.5
[M+NH4]+ 412.17545 206.7
[M+K]+ 433.10479 204.9
[M+H-H2O]+ 377.13889 185.7
[M+HCOO]- 439.13983 209.4
[M+CH3COO]- 453.15548 224.1
[M+Na-2H]- 415.11630 198.2
[M]+ 394.14108 202.1
[M]- 394.14218 202.1
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.