CID 6137933

83677-22-9

Structural Information

Molecular Formula
C23H28O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H28O2/c1-22(2,3)18-14-16(15-19(21(18)25)23(4,5)6)12-13-20(24)17-10-8-7-9-11-17/h7-15,25H,1-6H3/b13-12+
InChIKey
MQLALXSEENATJA-OUKQBFOZSA-N
Compound name
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

336.20892 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.216196 182.8
[M+Na]+ 359.198138 189.1
[M-H]- 335.201644 188.2
[M+NH4]+ 354.242743 196.4
[M+K]+ 375.172078 184.1
[M+H-H2O]+ 319.206180 176.0
[M+HCOO]- 381.207121 199.3
[M+CH3COO]- 395.222771 212.1
[M+Na-2H]- 357.183586 184.3
[M]+ 336.20837142 184.1
[M]- 336.20946858 184.1
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

patents stripe