CID 11109333

7-methoxy-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H13NO5
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=C(C=C(C=C3)OC)OC2=O
InChI
InChI=1S/C16H13NO5/c1-20-11-5-3-10(4-6-11)17-15(18)13-8-7-12(21-2)9-14(13)22-16(17)19/h3-9H,1-2H3
InChIKey
CDQULPMCBLSLLP-UHFFFAOYSA-N
Compound name
7-methoxy-3-(4-methoxyphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.07938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 163.9
[M+Na]+ 322.06860 175.7
[M-H]- 298.07210 172.2
[M+NH4]+ 317.11320 177.8
[M+K]+ 338.04254 173.6
[M+H-H2O]+ 282.07664 154.8
[M+HCOO]- 344.07758 186.3
[M+CH3COO]- 358.09323 203.7
[M+Na-2H]- 320.05405 171.1
[M]+ 299.07883 171.1
[M]- 299.07993 171.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.