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 171.1
[M+Na]+ 364.05584 178.5
[M-H]- 340.05934 174.6
[M+NH4]+ 359.10044 183.8
[M+K]+ 380.02978 177.3
[M+H-H2O]+ 324.06388 164.5
[M+HCOO]- 386.06482 182.8
[M+CH3COO]- 400.08047 209.1
[M+Na-2H]- 362.04129 172.9
[M]+ 341.06607 178.2
[M]- 341.06717 178.2
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