CID 49768223

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

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
CN(C)C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)OC2=O
InChI
InChI=1S/C16H13ClN2O3/c1-18(2)11-4-6-12(7-5-11)19-15(20)13-9-10(17)3-8-14(13)22-16(19)21/h3-9H,1-2H3
InChIKey
MJVOXHCKAIQJCJ-UHFFFAOYSA-N
Compound name
6-chloro-3-[4-(dimethylamino)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.06146 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 169.3
[M+Na]+ 339.05068 181.4
[M-H]- 315.05418 178.7
[M+NH4]+ 334.09528 183.8
[M+K]+ 355.02462 177.7
[M+H-H2O]+ 299.05872 160.8
[M+HCOO]- 361.05966 188.2
[M+CH3COO]- 375.07531 211.2
[M+Na-2H]- 337.03613 175.5
[M]+ 316.06091 176.6
[M]- 316.06201 176.6
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.