CID 111542

Bis(5-benzoyl-4-hydroxy-2-methoxyphenyl)methane

Structural Information

Molecular Formula
C29H24O6
SMILES
COC1=CC(=C(C=C1CC2=CC(=C(C=C2OC)O)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C29H24O6/c1-34-26-16-24(30)22(28(32)18-9-5-3-6-10-18)14-20(26)13-21-15-23(25(31)17-27(21)35-2)29(33)19-11-7-4-8-12-19/h3-12,14-17,30-31H,13H2,1-2H3
InChIKey
DCBNMBIOGUANTC-UHFFFAOYSA-N
Compound name
[5-[(5-benzoyl-4-hydroxy-2-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6458
Patents

468.1573 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.16458 213.5
[M+Na]+ 491.14652 218.9
[M-H]- 467.15002 223.7
[M+NH4]+ 486.19112 219.0
[M+K]+ 507.12046 214.4
[M+H-H2O]+ 451.15456 201.8
[M+HCOO]- 513.15550 231.0
[M+CH3COO]- 527.17115 234.3
[M+Na-2H]- 489.13197 211.1
[M]+ 468.15675 216.4
[M]- 468.15785 216.4
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