CID 5273696

3-benzyl-6-methyl-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H13NO3
SMILES
CC1=CC2=C(C=C1)OC(=O)N(C2=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H13NO3/c1-11-7-8-14-13(9-11)15(18)17(16(19)20-14)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
XPWCGZKSNSCVDU-UHFFFAOYSA-N
Compound name
3-benzyl-6-methyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

267.08954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09682 157.8
[M+Na]+ 290.07876 169.2
[M-H]- 266.08226 165.8
[M+NH4]+ 285.12336 173.0
[M+K]+ 306.05270 165.6
[M+H-H2O]+ 250.08680 149.1
[M+HCOO]- 312.08774 179.9
[M+CH3COO]- 326.10339 171.2
[M+Na-2H]- 288.06421 165.6
[M]+ 267.08899 161.8
[M]- 267.09009 161.8
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.