CID 54676056

4-hydroxy-3-{[4-(2-hydroxyethoxy)phenyl](4-hydroxy-2-oxochromen-3-yl)methyl}chromen-2-one

Structural Information

Molecular Formula
C27H20O8
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)OCCO)C4=C(C5=CC=CC=C5OC4=O)O)O
InChI
InChI=1S/C27H20O8/c28-13-14-33-16-11-9-15(10-12-16)21(22-24(29)17-5-1-3-7-19(17)34-26(22)31)23-25(30)18-6-2-4-8-20(18)35-27(23)32/h1-12,21,28-30H,13-14H2
InChIKey
JUVWNZXJOFWQCK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[4-(2-hydroxyethoxy)phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

472.1158 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.12308 211.6
[M+Na]+ 495.10502 220.6
[M-H]- 471.10852 221.7
[M+NH4]+ 490.14962 216.1
[M+K]+ 511.07896 218.7
[M+H-H2O]+ 455.11306 200.0
[M+HCOO]- 517.11400 226.8
[M+CH3COO]- 531.12965 220.2
[M+Na-2H]- 493.09047 215.8
[M]+ 472.11525 218.6
[M]- 472.11635 218.6
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.