CID 3077707

Brn 4324323

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 163.4
[M+Na]+ 296.12572 175.8
[M+NH4]+ 291.17032 170.0
[M+K]+ 312.09966 170.3
[M-H]- 272.12922 165.5
[M+Na-2H]- 294.11117 165.9
[M]+ 273.13595 165.6
[M]- 273.13705 165.6
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

No patent data available for this compound.