CID 197263

116337-82-7

Structural Information

Molecular Formula
C15H17NO3
SMILES
CCC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)C)C
InChI
InChI=1S/C15H17NO3/c1-5-9(2)14(17)11-6-7-12-13(8-11)19-10(3)15(18)16(12)4/h6-8,10H,2,5H2,1,3-4H3
InChIKey
KSQWAFPOZRQKCX-UHFFFAOYSA-N
Compound name
2,4-dimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 159.0
[M+Na]+ 282.11007 171.5
[M+NH4]+ 277.15467 165.7
[M+K]+ 298.08401 166.2
[M-H]- 258.11357 161.0
[M+Na-2H]- 280.09552 161.7
[M]+ 259.12030 161.2
[M]- 259.12140 161.2
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.