CID 5356590

7251-37-8

Structural Information

Molecular Formula
C23H18O11
SMILES
CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)O)OC(=O)C)OC(=O)C
InChI
InChI=1S/C23H18O11/c1-10(24)30-15-8-16(28)20-19(9-15)34-22(23(21(20)29)33-13(4)27)14-5-6-17(31-11(2)25)18(7-14)32-12(3)26/h5-9,28H,1-4H3
InChIKey
RCPLKIFASQXUES-UHFFFAOYSA-N
Compound name
[2-acetyloxy-4-(3,7-diacetyloxy-5-hydroxy-4-oxochromen-2-yl)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

470.0849 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.09218 199.2
[M+Na]+ 493.07412 206.9
[M-H]- 469.07762 207.2
[M+NH4]+ 488.11872 205.9
[M+K]+ 509.04806 209.3
[M+H-H2O]+ 453.08216 190.0
[M+HCOO]- 515.08310 216.3
[M+CH3COO]- 529.09875 235.6
[M+Na-2H]- 491.05957 198.3
[M]+ 470.08435 211.2
[M]- 470.08545 211.2
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.