CID 54680451

Nsc682615

Structural Information

Molecular Formula
C26H18O6
SMILES
C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=CC=C(C=C3)CC4=C(C5=CC=CC=C5OC4=O)O)O
InChI
InChI=1S/C26H18O6/c27-23-17-5-1-3-7-21(17)31-25(29)19(23)13-15-9-11-16(12-10-15)14-20-24(28)18-6-2-4-8-22(18)32-26(20)30/h1-12,27-28H,13-14H2
InChIKey
XYMRWHUHMUWYFS-UHFFFAOYSA-N
Compound name
4-hydroxy-3-[[4-[(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]methyl]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.11035 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.11763 202.8
[M+Na]+ 449.09957 214.0
[M-H]- 425.10307 214.5
[M+NH4]+ 444.14417 210.3
[M+K]+ 465.07351 210.4
[M+H-H2O]+ 409.10761 191.5
[M+HCOO]- 471.10855 220.7
[M+CH3COO]- 485.12420 213.1
[M+Na-2H]- 447.08502 208.5
[M]+ 426.10980 209.0
[M]- 426.11090 209.0
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

No patent data available for this compound.