CID 6449681

127245-20-9

Structural Information

Molecular Formula
C19H27NO3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CON(C2=O)C
InChI
InChI=1S/C19H27NO3/c1-18(2,3)14-9-12(8-13-11-23-20(7)17(13)22)10-15(16(14)21)19(4,5)6/h8-10,21H,11H2,1-7H3/b13-8+
InChIKey
OTOTVZIIINPDEE-MDWZMJQESA-N
Compound name
(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyl-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

317.1991 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.206376 177.0
[M+Na]+ 340.188318 185.0
[M-H]- 316.191824 182.4
[M+NH4]+ 335.232923 191.2
[M+K]+ 356.162258 182.2
[M+H-H2O]+ 300.196360 171.6
[M+HCOO]- 362.197301 191.8
[M+CH3COO]- 376.212951 207.3
[M+Na-2H]- 338.173766 177.4
[M]+ 317.19855142 178.8
[M]- 317.19964858 178.8
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