CID 197264

116337-83-8

Structural Information

Molecular Formula
C16H19NO3
SMILES
CCC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)(C)C)C
InChI
InChI=1S/C16H19NO3/c1-6-10(2)14(18)11-7-8-12-13(9-11)20-16(3,4)15(19)17(12)5/h7-9H,2,6H2,1,3-5H3
InChIKey
XLZPUZPNBBONQU-UHFFFAOYSA-N
Compound name
2,2,4-trimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 160.4
[M+Na]+ 296.12572 169.3
[M-H]- 272.12922 164.5
[M+NH4]+ 291.17032 177.6
[M+K]+ 312.09966 167.4
[M+H-H2O]+ 256.13376 154.2
[M+HCOO]- 318.13470 176.6
[M+CH3COO]- 332.15035 203.0
[M+Na-2H]- 294.11117 163.4
[M]+ 273.13595 162.9
[M]- 273.13705 162.9
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

No patent data available for this compound.