CID 5850698

Nsc635190

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.20892 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21620 182.8
[M+Na]+ 359.19814 189.1
[M-H]- 335.20164 188.2
[M+NH4]+ 354.24274 196.4
[M+K]+ 375.17208 184.1
[M+H-H2O]+ 319.20618 176.0
[M+HCOO]- 381.20712 199.3
[M+CH3COO]- 395.22277 212.1
[M+Na-2H]- 357.18359 184.3
[M]+ 336.20837 184.1
[M]- 336.20947 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

literature stripe

Patent stripe

No patent data available for this compound.