CID 271644

8-acetyl-2-(2-acetyl-3,5-dihydroxyphenyl)-5-hydroxy-4h-chromen-4-one

Structural Information

Molecular Formula
C19H14O7
SMILES
CC(=O)C1=C2C(=C(C=C1)O)C(=O)C=C(O2)C3=C(C(=CC(=C3)O)O)C(=O)C
InChI
InChI=1S/C19H14O7/c1-8(20)11-3-4-13(23)18-15(25)7-16(26-19(11)18)12-5-10(22)6-14(24)17(12)9(2)21/h3-7,22-24H,1-2H3
InChIKey
DEFYWUPGKABEQF-UHFFFAOYSA-N
Compound name
8-acetyl-2-(2-acetyl-3,5-dihydroxyphenyl)-5-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

354.07394 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.081216 176.9
[M+Na]+ 377.063158 186.8
[M-H]- 353.066664 182.9
[M+NH4]+ 372.107763 187.7
[M+K]+ 393.037098 184.6
[M+H-H2O]+ 337.071200 169.4
[M+HCOO]- 399.072141 193.4
[M+CH3COO]- 413.087791 212.1
[M+Na-2H]- 375.048606 178.1
[M]+ 354.07339142 181.3
[M]- 354.07448858 181.3
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

patents stripe