CID 51797

P-hydroxyphenyl 2-mesitylbenzofuran-3-yl ketone

Structural Information

Molecular Formula
C24H20O3
SMILES
CC1=CC(=C(C(=C1)C)C2=C(C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)O)C
InChI
InChI=1S/C24H20O3/c1-14-12-15(2)21(16(3)13-14)24-22(19-6-4-5-7-20(19)27-24)23(26)17-8-10-18(25)11-9-17/h4-13,25H,1-3H3
InChIKey
RJJRNLAPIHJVRY-UHFFFAOYSA-N
Compound name
(4-hydroxyphenyl)-[2-(2,4,6-trimethylphenyl)-1-benzofuran-3-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14124 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14852 186.2
[M+Na]+ 379.13046 196.8
[M-H]- 355.13396 197.9
[M+NH4]+ 374.17506 200.3
[M+K]+ 395.10440 191.8
[M+H-H2O]+ 339.13850 178.2
[M+HCOO]- 401.13944 207.6
[M+CH3COO]- 415.15509 198.4
[M+Na-2H]- 377.11591 187.1
[M]+ 356.14069 191.1
[M]- 356.14179 191.1
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

No patent data available for this compound.