CID 5714253

(e)-2-(3,5-di-tert-butyl-4-hydroxybenzylidene)indan-1-one

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]+ 349.21620 187.5
[M+Na]+ 371.19814 200.2
[M+NH4]+ 366.24274 195.0
[M+K]+ 387.17208 194.9
[M-H]- 347.20164 190.4
[M+Na-2H]- 369.18359 192.5
[M]+ 348.20837 190.4
[M]- 348.20947 190.4
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.