CID 78178070

Akos040752675

Structural Information

Molecular Formula
C20H22O11
SMILES
C1C(C(C(C(O1)OC2C(C3=C(C=C(C=C3OC2C4=CC(=C(C=C4)O)O)O)O)O)O)O)O
InChI
InChI=1S/C20H22O11/c21-8-4-11(24)14-13(5-8)30-18(7-1-2-9(22)10(23)3-7)19(16(14)27)31-20-17(28)15(26)12(25)6-29-20/h1-5,12,15-28H,6H2
InChIKey
YISJRMFABYGQSX-UHFFFAOYSA-N
Compound name
2-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxy-3,4-dihydro-2H-chromene-4,5,7-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

438.1162 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.12348 199.4
[M+Na]+ 461.10542 208.7
[M+NH4]+ 456.15002 201.7
[M+K]+ 477.07936 208.7
[M-H]- 437.10892 202.3
[M+Na-2H]- 459.09087 197.7
[M]+ 438.11565 201.0
[M]- 438.11675 201.0
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.