CID 13940823

Schembl28898462

Structural Information

Molecular Formula
C21H20O10
SMILES
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)O)O)O
InChI
InChI=1S/C21H20O10/c1-8-15(24)17(26)19(28)21(29-8)30-11-6-12(23)14-13(7-11)31-20(18(27)16(14)25)9-2-4-10(22)5-3-9/h2-8,15,17,19,21-24,26-28H,1H3
InChIKey
HQNOUCSPWAGQND-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

432.10565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.112926 199.1
[M+Na]+ 455.094868 206.6
[M-H]- 431.098374 204.8
[M+NH4]+ 450.139473 203.1
[M+K]+ 471.068808 206.2
[M+H-H2O]+ 415.102910 189.9
[M+HCOO]- 477.103851 208.0
[M+CH3COO]- 491.119501 222.4
[M+Na-2H]- 453.080316 198.7
[M]+ 432.10510142 201.2
[M]- 432.10619858 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.