CID 14027571

3,5,7-tris(acetyloxy)-8-methoxy-2-(4-methoxyphenyl)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C23H20O10
SMILES
CC(=O)OC1=CC(=C(C2=C1C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC(=O)C)OC)OC(=O)C
InChI
InChI=1S/C23H20O10/c1-11(24)30-16-10-17(31-12(2)25)21(29-5)22-18(16)19(27)23(32-13(3)26)20(33-22)14-6-8-15(28-4)9-7-14/h6-10H,1-5H3
InChIKey
TWPMHNZGBZPKDY-UHFFFAOYSA-N
Compound name
[3,7-diacetyloxy-8-methoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.10565 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.11293 199.0
[M+Na]+ 479.09487 207.6
[M-H]- 455.09837 208.4
[M+NH4]+ 474.13947 207.3
[M+K]+ 495.06881 209.6
[M+H-H2O]+ 439.10291 189.4
[M+HCOO]- 501.10385 218.3
[M+CH3COO]- 515.11950 235.3
[M+Na-2H]- 477.08032 199.2
[M]+ 456.10510 212.7
[M]- 456.10620 212.7
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.