CID 3040337

52042-40-7

Structural Information

Molecular Formula
C15H16ClNO6
SMILES
CC(=O)OCC(CN1C(=O)COC2=C1C=C(C=C2)Cl)OC(=O)C
InChI
InChI=1S/C15H16ClNO6/c1-9(18)21-7-12(23-10(2)19)6-17-13-5-11(16)3-4-14(13)22-8-15(17)20/h3-5,12H,6-8H2,1-2H3
InChIKey
JTDDXNYPLZYMHB-UHFFFAOYSA-N
Compound name
[2-acetyloxy-3-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

341.06662 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07390 171.6
[M+Na]+ 364.05584 182.7
[M+NH4]+ 359.10044 176.7
[M+K]+ 380.02978 178.9
[M-H]- 340.05934 171.8
[M+Na-2H]- 362.04129 173.1
[M]+ 341.06607 173.2
[M]- 341.06717 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

patents stripe