CID 4651661

Akos024324237

Structural Information

Molecular Formula
C28H32O2
SMILES
CC1=CC(=C(C(=C1)C)C(=O)C(C(C2=CC=CC=C2)C3=C(C(=CC(=C3C)C)C)C)O)C
InChI
InChI=1S/C28H32O2/c1-16-13-19(4)24(20(5)14-16)27(29)28(30)26(23-11-9-8-10-12-23)25-21(6)17(2)15-18(3)22(25)7/h8-15,26,28,30H,1-7H3
InChIKey
HVHLUFAYNCBUBY-UHFFFAOYSA-N
Compound name
2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.24023 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.24751 199.4
[M+Na]+ 423.22945 206.2
[M-H]- 399.23295 208.3
[M+NH4]+ 418.27405 210.2
[M+K]+ 439.20339 200.7
[M+H-H2O]+ 383.23749 190.4
[M+HCOO]- 445.23843 216.2
[M+CH3COO]- 459.25408 231.5
[M+Na-2H]- 421.21490 193.6
[M]+ 400.23968 201.9
[M]- 400.24078 201.9
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.