CID 479929

6,8-dichloro-3-(4-dimethylaminophenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H12Cl2N2O3
SMILES
CN(C)C1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Cl)Cl)OC2=O
InChI
InChI=1S/C16H12Cl2N2O3/c1-19(2)10-3-5-11(6-4-10)20-15(21)12-7-9(17)8-13(18)14(12)23-16(20)22/h3-8H,1-2H3
InChIKey
FNEKRWZMLUSDML-UHFFFAOYSA-N
Compound name
6,8-dichloro-3-[4-(dimethylamino)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.0225 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.02978 175.3
[M+Na]+ 373.01172 188.6
[M-H]- 349.01522 184.2
[M+NH4]+ 368.05632 189.2
[M+K]+ 388.98566 184.0
[M+H-H2O]+ 333.01976 167.6
[M+HCOO]- 395.02070 189.0
[M+CH3COO]- 409.03635 188.0
[M+Na-2H]- 370.99717 180.0
[M]+ 350.02195 184.3
[M]- 350.02305 184.3
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.