CID 353777

Nsc602894

Structural Information

Molecular Formula
C21H20O10
SMILES
C1=CC(=C(C(=C1)O)O)C2=COC3=C(C2=O)C=CC(=C3)OC4C(C(C(C(O4)CO)O)O)O
InChI
InChI=1S/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-9-4-5-11-14(6-9)29-8-12(16(11)24)10-2-1-3-13(23)17(10)25/h1-6,8,15,18-23,25-28H,7H2
InChIKey
HLZFZCMKDBOMLP-UHFFFAOYSA-N
Compound name
3-(2,3-dihydroxyphenyl)-7-[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

432.10565 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11293 197.8
[M+Na]+ 455.09487 204.5
[M-H]- 431.09837 203.2
[M+NH4]+ 450.13947 201.6
[M+K]+ 471.06881 204.0
[M+H-H2O]+ 415.10291 188.5
[M+HCOO]- 477.10385 206.9
[M+CH3COO]- 491.11950 220.8
[M+Na-2H]- 453.08032 198.3
[M]+ 432.10510 199.5
[M]- 432.10620 199.5
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.