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 187.6
[M+Na]+ 371.19814 195.7
[M-H]- 347.20164 194.4
[M+NH4]+ 366.24274 204.0
[M+K]+ 387.17208 189.7
[M+H-H2O]+ 331.20618 181.9
[M+HCOO]- 393.20712 203.7
[M+CH3COO]- 407.22277 214.5
[M+Na-2H]- 369.18359 188.1
[M]+ 348.20837 188.7
[M]- 348.20947 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.