CID 10708096

3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H13NO4
SMILES
CC1=CC2=C(C=C1)OC(=O)N(C2=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C16H13NO4/c1-10-3-8-14-13(9-10)15(18)17(16(19)21-14)11-4-6-12(20-2)7-5-11/h3-9H,1-2H3
InChIKey
PTRXDWKIZKQDEU-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-6-methyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.08447 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09175 160.9
[M+Na]+ 306.07369 173.0
[M-H]- 282.07719 169.3
[M+NH4]+ 301.11829 175.6
[M+K]+ 322.04763 170.2
[M+H-H2O]+ 266.08173 152.2
[M+HCOO]- 328.08267 183.2
[M+CH3COO]- 342.09832 201.4
[M+Na-2H]- 304.05914 168.1
[M]+ 283.08392 166.8
[M]- 283.08502 166.8
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.