CID 5714253

137506-95-7

Structural Information

Molecular Formula
C24H28O2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CC3=CC=CC=C3C2=O
InChI
InChI=1S/C24H28O2/c1-23(2,3)19-12-15(13-20(22(19)26)24(4,5)6)11-17-14-16-9-7-8-10-18(16)21(17)25/h7-13,26H,14H2,1-6H3/b17-11+
InChIKey
SMPSMMSABMAUMB-GZTJUZNOSA-N
Compound name
(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.20892 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.216196 187.6
[M+Na]+ 371.198138 195.7
[M-H]- 347.201644 194.4
[M+NH4]+ 366.242743 204.0
[M+K]+ 387.172078 189.7
[M+H-H2O]+ 331.206180 181.9
[M+HCOO]- 393.207121 203.7
[M+CH3COO]- 407.222771 214.5
[M+Na-2H]- 369.183586 188.1
[M]+ 348.20837142 188.7
[M]- 348.20946858 188.7
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.