CID 11086722

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

Structural Information

Molecular Formula
C16H13NO3
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)C)OC2=O
InChI
InChI=1S/C16H13NO3/c1-10-3-6-12(7-4-10)17-15(18)13-9-11(2)5-8-14(13)20-16(17)19/h3-9H,1-2H3
InChIKey
PTXHVETZKIFNPI-UHFFFAOYSA-N
Compound name
6-methyl-3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.08954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 157.8
[M+Na]+ 290.07876 170.1
[M-H]- 266.08226 166.2
[M+NH4]+ 285.12336 173.3
[M+K]+ 306.05270 166.6
[M+H-H2O]+ 250.08680 149.3
[M+HCOO]- 312.08774 179.9
[M+CH3COO]- 326.10339 171.6
[M+Na-2H]- 288.06421 164.9
[M]+ 267.08899 162.2
[M]- 267.09009 162.2
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.