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]+ 318.20638 177.0
[M+Na]+ 340.18832 185.0
[M-H]- 316.19182 182.4
[M+NH4]+ 335.23292 191.2
[M+K]+ 356.16226 182.2
[M+H-H2O]+ 300.19636 171.6
[M+HCOO]- 362.19730 191.8
[M+CH3COO]- 376.21295 207.3
[M+Na-2H]- 338.17377 177.4
[M]+ 317.19855 178.8
[M]- 317.19965 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