CID 463044

3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C15H11NO3
SMILES
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H11NO3/c1-10-6-8-11(9-7-10)16-14(17)12-4-2-3-5-13(12)19-15(16)18/h2-9H,1H3
InChIKey
SORYQVTVJSQUPM-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

42
Patents

253.0739 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.0
[M+Na]+ 276.06312 164.9
[M-H]- 252.06662 161.2
[M+NH4]+ 271.10772 168.8
[M+K]+ 292.03706 161.5
[M+H-H2O]+ 236.07116 144.6
[M+HCOO]- 298.07210 175.5
[M+CH3COO]- 312.08775 166.9
[M+Na-2H]- 274.04857 161.4
[M]+ 253.07335 156.7
[M]- 253.07445 156.7
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

patents stripe