CID 171593

57472-50-1

Structural Information

Molecular Formula
C29H24O6
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C(=CC=C2)OCO)CC3=C(C=CC=C3OCO)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H24O6/c30-18-34-26-15-7-13-22(28(32)20-9-3-1-4-10-20)24(26)17-25-23(14-8-16-27(25)35-19-31)29(33)21-11-5-2-6-12-21/h1-16,30-31H,17-19H2
InChIKey
SEOHBRVZEKNHMV-UHFFFAOYSA-N
Compound name
[2-[[2-benzoyl-6-(hydroxymethoxy)phenyl]methyl]-3-(hydroxymethoxy)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

468.1573 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.16458 215.2
[M+Na]+ 491.14652 230.6
[M+NH4]+ 486.19112 220.7
[M+K]+ 507.12046 222.4
[M-H]- 467.15002 222.0
[M+Na-2H]- 489.13197 225.4
[M]+ 468.15675 219.4
[M]- 468.15785 219.4
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

patents stripe