CID 25400589

2-(2-chlorophenyl)-6-ethoxy-7-methoxy-4h-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C17H14ClNO4
SMILES
CCOC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CC=C3Cl)OC
InChI
InChI=1S/C17H14ClNO4/c1-3-22-15-8-11-13(9-14(15)21-2)19-16(23-17(11)20)10-6-4-5-7-12(10)18/h4-9H,3H2,1-2H3
InChIKey
WYFUNPGYPSDKCF-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-6-ethoxy-7-methoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

331.06113 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.068406 172.8
[M+Na]+ 354.050348 184.8
[M-H]- 330.053854 180.6
[M+NH4]+ 349.094953 186.4
[M+K]+ 370.024288 180.9
[M+H-H2O]+ 314.058390 164.3
[M+HCOO]- 376.059331 189.8
[M+CH3COO]- 390.074981 208.6
[M+Na-2H]- 352.035796 178.9
[M]+ 331.06058142 181.8
[M]- 331.06167858 181.8
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