CID 162873866

6,7-dimethoxy-2-(4-methoxyphenyl)-5-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Structural Information

Molecular Formula
C24H26O11
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)14-8-13(26)18-15(33-14)9-16(31-2)22(32-3)23(18)35-24-21(29)20(28)19(27)17(10-25)34-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3/t17-,19-,20+,21-,24+/m1/s1
InChIKey
KOGPJTPYKUFLQN-MJALHYBGSA-N
Compound name
6,7-dimethoxy-2-(4-methoxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.14752 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15480 212.9
[M+Na]+ 513.13674 219.4
[M-H]- 489.14024 220.5
[M+NH4]+ 508.18134 215.6
[M+K]+ 529.11068 220.9
[M+H-H2O]+ 473.14478 202.3
[M+HCOO]- 535.14572 223.8
[M+CH3COO]- 549.16137 236.8
[M+Na-2H]- 511.12219 212.2
[M]+ 490.14697 220.5
[M]- 490.14807 220.5
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.