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 199.3
[M+Na]+ 461.10542 203.8
[M-H]- 437.10892 201.6
[M+NH4]+ 456.15002 201.5
[M+K]+ 477.07936 204.0
[M+H-H2O]+ 421.11346 190.7
[M+HCOO]- 483.11440 202.7
[M+CH3COO]- 497.13005 220.5
[M+Na-2H]- 459.09087 197.4
[M]+ 438.11565 197.4
[M]- 438.11675 197.4
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.