CID 6439259

Biofor 389

Structural Information

Molecular Formula
C20H29NO3
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C/2\CCON(C2=O)C
InChI
InChI=1S/C20H29NO3/c1-19(2,3)15-11-13(12-16(17(15)22)20(4,5)6)10-14-8-9-24-21(7)18(14)23/h10-12,22H,8-9H2,1-7H3/b14-10+
InChIKey
BWRYNNCGEDOTRW-GXDHUFHOSA-N
Compound name
(4E)-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-methyloxazinan-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

80
Patents

331.21475 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.22203 181.6
[M+Na]+ 354.20397 188.4
[M-H]- 330.20747 186.4
[M+NH4]+ 349.24857 193.2
[M+K]+ 370.17791 185.6
[M+H-H2O]+ 314.21201 174.8
[M+HCOO]- 376.21295 193.8
[M+CH3COO]- 390.22860 210.9
[M+Na-2H]- 352.18942 182.8
[M]+ 331.21420 181.7
[M]- 331.21530 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe