CID 74977424

1329-10-8

Structural Information

Molecular Formula
C21H20O9
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O
InChI
InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)29-15-7-11(23)6-14-17(15)12(24)8-13(28-14)10-4-2-1-3-5-10/h1-8,16,18-23,25-27H,9H2
InChIKey
IRHAYEHCEVRWSB-UHFFFAOYSA-N
Compound name
7-hydroxy-2-phenyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

40
Patents

416.11072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.117996 194.5
[M+Na]+ 439.099938 201.3
[M-H]- 415.103444 200.9
[M+NH4]+ 434.144543 199.6
[M+K]+ 455.073878 200.3
[M+H-H2O]+ 399.107980 185.2
[M+HCOO]- 461.108921 205.0
[M+CH3COO]- 475.124571 218.3
[M+Na-2H]- 437.085386 195.8
[M]+ 416.11017142 195.9
[M]- 416.11126858 195.9
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

patents stripe