CID 478818

3-(4-dimethylaminophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H14N2O3
SMILES
CN(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C16H14N2O3/c1-17(2)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)21-16(18)20/h3-10H,1-2H3
InChIKey
GCMJRUGNENEIRR-UHFFFAOYSA-N
Compound name
3-[4-(dimethylamino)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.10043 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.10771 162.2
[M+Na]+ 305.08965 172.8
[M-H]- 281.09315 171.5
[M+NH4]+ 300.13425 177.0
[M+K]+ 321.06359 170.5
[M+H-H2O]+ 265.09769 153.0
[M+HCOO]- 327.09863 185.8
[M+CH3COO]- 341.11428 206.3
[M+Na-2H]- 303.07510 169.8
[M]+ 282.09988 166.7
[M]- 282.10098 166.7
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.