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 187.3
[M+Na]+ 415.09994 192.0
[M-H]- 391.10344 190.3
[M+NH4]+ 410.14454 192.8
[M+K]+ 431.07388 190.3
[M+H-H2O]+ 375.10798 179.0
[M+HCOO]- 437.10892 197.5
[M+CH3COO]- 451.12457 211.1
[M+Na-2H]- 413.08539 185.2
[M]+ 392.11017 185.8
[M]- 392.11127 185.8
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.