CID 6271602

Ethyl 2-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methylene)-3-oxobutanoate

Structural Information

Molecular Formula
C21H30O4
SMILES
CCOC(=O)/C(=C/C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)/C(=O)C
InChI
InChI=1S/C21H30O4/c1-9-25-19(24)15(13(2)22)10-14-11-16(20(3,4)5)18(23)17(12-14)21(6,7)8/h10-12,23H,9H2,1-8H3/b15-10+
InChIKey
OJZBBHWBJOSQFI-XNTDXEJSSA-N
Compound name
ethyl (2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

346.21442 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.22170 184.8
[M+Na]+ 369.20364 193.5
[M+NH4]+ 364.24824 188.8
[M+K]+ 385.17758 190.6
[M-H]- 345.20714 182.7
[M+Na-2H]- 367.18909 186.1
[M]+ 346.21387 185.3
[M]- 346.21497 185.3
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