CID 5273712

7-chloro-3-[(4-methoxyphenyl)methyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H12ClNO4
SMILES
COC1=CC=C(C=C1)CN2C(=O)C3=C(C=C(C=C3)Cl)OC2=O
InChI
InChI=1S/C16H12ClNO4/c1-21-12-5-2-10(3-6-12)9-18-15(19)13-7-4-11(17)8-14(13)22-16(18)20/h2-8H,9H2,1H3
InChIKey
PFMCLFUQAFOJBM-UHFFFAOYSA-N
Compound name
7-chloro-3-[(4-methoxyphenyl)methyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

317.04547 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05275 167.3
[M+Na]+ 340.03469 180.1
[M-H]- 316.03819 175.4
[M+NH4]+ 335.07929 181.5
[M+K]+ 356.00863 175.8
[M+H-H2O]+ 300.04273 159.1
[M+HCOO]- 362.04367 184.9
[M+CH3COO]- 376.05932 205.0
[M+Na-2H]- 338.02014 174.0
[M]+ 317.04492 175.4
[M]- 317.04602 175.4
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.