CID 171593

Einecs 260-753-8

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 213.3
[M+Na]+ 491.14652 216.9
[M-H]- 467.15002 222.6
[M+NH4]+ 486.19112 218.1
[M+K]+ 507.12046 212.0
[M+H-H2O]+ 451.15456 201.3
[M+HCOO]- 513.15550 230.8
[M+CH3COO]- 527.17115 231.6
[M+Na-2H]- 489.13197 212.2
[M]+ 468.15675 215.2
[M]- 468.15785 215.2
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