CID 54690225

Cbmicro_001780

Structural Information

Molecular Formula
C26H18O6
SMILES
CC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O
InChI
InChI=1S/C26H18O6/c1-14-10-12-15(13-11-14)20(21-23(27)16-6-2-4-8-18(16)31-25(21)29)22-24(28)17-7-3-5-9-19(17)32-26(22)30/h2-13,20,27-28H,1H3
InChIKey
WFUFWBKEAWXSJX-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)-(4-methylphenyl)methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

426.11035 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.11763 202.5
[M+Na]+ 449.09957 213.3
[M-H]- 425.10307 214.2
[M+NH4]+ 444.14417 209.9
[M+K]+ 465.07351 210.3
[M+H-H2O]+ 409.10761 191.5
[M+HCOO]- 471.10855 219.4
[M+CH3COO]- 485.12420 212.7
[M+Na-2H]- 447.08502 207.1
[M]+ 426.10980 208.2
[M]- 426.11090 208.2
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

patents stripe