CID 54690696

10172-78-8

Structural Information

Molecular Formula
C27H20O8
SMILES
COC1=CC(=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)OC
InChI
InChI=1S/C27H20O8/c1-32-14-11-12-15(20(13-14)33-2)21(22-24(28)16-7-3-5-9-18(16)34-26(22)30)23-25(29)17-8-4-6-10-19(17)35-27(23)31/h3-13,21,28-29H,1-2H3
InChIKey
HYCWAXCIDJBIPL-UHFFFAOYSA-N
Compound name
3-[(2,4-dimethoxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

472.1158 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12308 212.9
[M+Na]+ 495.10502 223.2
[M-H]- 471.10852 224.8
[M+NH4]+ 490.14962 218.3
[M+K]+ 511.07896 222.2
[M+H-H2O]+ 455.11306 201.1
[M+HCOO]- 517.11400 229.5
[M+CH3COO]- 531.12965 222.4
[M+Na-2H]- 493.09047 216.7
[M]+ 472.11525 222.0
[M]- 472.11635 222.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.