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

literature stripe

Patent stripe

patents stripe