CID 44257426

Stemonacetal

Structural Information

Molecular Formula
C21H20O8
SMILES
CCOC1C2=C(C3=CC(=C(C=C3O1)OC)OC)C(=O)C4=C(C=C(C=C4O2)OC)O
InChI
InChI=1S/C21H20O8/c1-5-27-21-20-17(11-8-14(25-3)15(26-4)9-13(11)29-21)19(23)18-12(22)6-10(24-2)7-16(18)28-20/h6-9,21-22H,5H2,1-4H3
InChIKey
KLMKGDIYOORAED-UHFFFAOYSA-N
Compound name
6-ethoxy-11-hydroxy-2,3,9-trimethoxy-6H-chromeno[3,4-b]chromen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

400.1158 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12308 190.5
[M+Na]+ 423.10502 201.2
[M-H]- 399.10852 197.9
[M+NH4]+ 418.14962 201.8
[M+K]+ 439.07896 201.6
[M+H-H2O]+ 383.11306 181.4
[M+HCOO]- 445.11400 206.2
[M+CH3COO]- 459.12965 225.8
[M+Na-2H]- 421.09047 196.4
[M]+ 400.11525 202.4
[M]- 400.11635 202.4
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

patents stripe