CID 14334937

Rothindin

Structural Information

Molecular Formula
C22H20O10
SMILES
C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O
InChI
InChI=1S/C22H20O10/c23-7-17-19(25)20(26)21(27)22(32-17)31-11-2-3-12-15(6-11)28-8-13(18(12)24)10-1-4-14-16(5-10)30-9-29-14/h1-6,8,17,19-23,25-27H,7,9H2
InChIKey
GWACEFYEIOPAJV-UHFFFAOYSA-N
Compound name
3-(1,3-benzodioxol-5-yl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

444.10565 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.11293 200.1
[M+Na]+ 467.09487 212.6
[M+NH4]+ 462.13947 204.5
[M+K]+ 483.06881 212.0
[M-H]- 443.09837 208.2
[M+Na-2H]- 465.08032 200.1
[M]+ 444.10510 204.0
[M]- 444.10620 204.0
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

patents stripe