CID 131752853

C20h24n2os.hcl

Structural Information

Molecular Formula
C21H20O8
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C21H20O8/c22-10-16-18(24)19(25)20(26)21(29-16)28-14-8-4-7-13-17(14)12(23)9-15(27-13)11-5-2-1-3-6-11/h1-9,16,18-22,24-26H,10H2
InChIKey
KCTFPBYBZISAEX-UHFFFAOYSA-N
Compound name
2-phenyl-5-[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

400.1158 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12308 192.0
[M+Na]+ 423.10502 205.8
[M+NH4]+ 418.14962 197.2
[M+K]+ 439.07896 201.4
[M-H]- 399.10852 198.3
[M+Na-2H]- 421.09047 195.9
[M]+ 400.11525 195.7
[M]- 400.11635 195.7
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.