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]+ 318.133576 168.8
[M+Na]+ 340.115518 176.9
[M-H]- 316.119024 172.7
[M+NH4]+ 335.160123 183.9
[M+K]+ 356.089458 176.2
[M+H-H2O]+ 300.123560 162.5
[M+HCOO]- 362.124501 184.2
[M+CH3COO]- 376.140151 210.0
[M+Na-2H]- 338.100966 170.6
[M]+ 317.12575142 173.2
[M]- 317.12684858 173.2
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.