CID 13940823

B2703-477351

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

74
Patents

432.10565 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11293 199.2
[M+Na]+ 455.09487 211.9
[M+NH4]+ 450.13947 202.4
[M+K]+ 471.06881 209.7
[M-H]- 431.09837 203.8
[M+Na-2H]- 453.08032 200.3
[M]+ 432.10510 202.0
[M]- 432.10620 202.0
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

patents stripe