CID 112241

Bis(2-hydroxy-3-benzoyl-6-methoxyphenyl)methane

Structural Information

Molecular Formula
C29H24O6
SMILES
COC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)O)CC3=C(C=CC(=C3O)C(=O)C4=CC=CC=C4)OC
InChI
InChI=1S/C29H24O6/c1-34-24-15-13-20(26(30)18-9-5-3-6-10-18)28(32)22(24)17-23-25(35-2)16-14-21(29(23)33)27(31)19-11-7-4-8-12-19/h3-16,32-33H,17H2,1-2H3
InChIKey
HFZJEMIEWJTJIF-UHFFFAOYSA-N
Compound name
[3-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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

No literature data available for this compound.

Patent stripe

patents stripe