CID 3077710

Brn 4328074

Structural Information

Molecular Formula
C17H19NO5
SMILES
CC(=O)OCC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)(C)C)C
InChI
InChI=1S/C17H19NO5/c1-10(9-22-11(2)19)15(20)12-6-7-13-14(8-12)23-17(3,4)16(21)18(13)5/h6-8H,1,9H2,2-5H3
InChIKey
CEPQFVQUKWROFW-UHFFFAOYSA-N
Compound name
2-(2,2,4-trimethyl-3-oxo-1,4-benzoxazine-7-carbonyl)prop-2-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1263 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 171.6
[M+Na]+ 340.11552 182.5
[M+NH4]+ 335.16012 177.8
[M+K]+ 356.08946 177.0
[M-H]- 316.11902 172.0
[M+Na-2H]- 338.10097 174.2
[M]+ 317.12575 173.1
[M]- 317.12685 173.1
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.