CID 215289

1-methyl-4-phenyl-1,4-dihydro-2h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C15H13NO2
SMILES
CN1C2=CC=CC=C2C(OC1=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO2/c1-16-13-10-6-5-9-12(13)14(18-15(16)17)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKey
MAHQGKWHWPBPIA-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-4H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.09464 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 152.3
[M+Na]+ 262.083858 161.0
[M-H]- 238.087364 159.3
[M+NH4]+ 257.128463 168.2
[M+K]+ 278.057798 157.9
[M+H-H2O]+ 222.091900 143.8
[M+HCOO]- 284.092841 171.6
[M+CH3COO]- 298.108491 164.9
[M+Na-2H]- 260.069306 159.5
[M]+ 239.09409142 151.9
[M]- 239.09518858 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.