CID 85362951

Gpa05568

Structural Information

Molecular Formula
C19H20O9
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O
InChI
InChI=1S/C19H20O9/c20-8-13-16(24)17(25)18(26)19(28-13)27-12-7-10(21)6-11(22)14(12)15(23)9-4-2-1-3-5-9/h1-7,13,16-22,24-26H,8H2
InChIKey
CCXXIROIENJKKR-UHFFFAOYSA-N
Compound name
[2,4-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.11072 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11800 189.3
[M+Na]+ 415.09994 199.1
[M+NH4]+ 410.14454 192.1
[M+K]+ 431.07388 197.6
[M-H]- 391.10344 191.2
[M+Na-2H]- 413.08539 190.9
[M]+ 392.11017 190.7
[M]- 392.11127 190.7
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.