CID 256777

2037-99-2

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3OC2=O
InChI
InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)19-15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
WDEVZFISTMLQTE-UHFFFAOYSA-N
Compound name
3-benzyl-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

253.0739 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 152.9
[M+Na]+ 276.06312 163.9
[M-H]- 252.06662 160.7
[M+NH4]+ 271.10772 168.4
[M+K]+ 292.03706 160.4
[M+H-H2O]+ 236.07116 144.3
[M+HCOO]- 298.07210 175.4
[M+CH3COO]- 312.08775 166.5
[M+Na-2H]- 274.04857 162.1
[M]+ 253.07335 156.1
[M]- 253.07445 156.1
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