CID 248666

6959-55-3

Structural Information

Molecular Formula
C21H20O8
SMILES
CC(=O)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC
InChI
InChI=1S/C21H20O8/c1-11(22)28-13-8-6-12(7-9-13)15-10-14(23)16-17(24-2)19(25-3)21(27-5)20(26-4)18(16)29-15/h6-10H,1-5H3
InChIKey
GPKHJXVBFIQGKO-UHFFFAOYSA-N
Compound name
[4-(5,6,7,8-tetramethoxy-4-oxochromen-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.1158 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.12308 189.4
[M+Na]+ 423.10502 199.5
[M-H]- 399.10852 199.0
[M+NH4]+ 418.14962 200.5
[M+K]+ 439.07896 200.0
[M+H-H2O]+ 383.11306 180.0
[M+HCOO]- 445.11400 210.6
[M+CH3COO]- 459.12965 225.4
[M+Na-2H]- 421.09047 192.0
[M]+ 400.11525 202.2
[M]- 400.11635 202.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.