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]+ 457.112926 199.0
[M+Na]+ 479.094868 207.6
[M-H]- 455.098374 208.4
[M+NH4]+ 474.139473 207.3
[M+K]+ 495.068808 209.6
[M+H-H2O]+ 439.102910 189.4
[M+HCOO]- 501.103851 218.3
[M+CH3COO]- 515.119501 235.3
[M+Na-2H]- 477.080316 199.2
[M]+ 456.10510142 212.7
[M]- 456.10619858 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.