CID 784738

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

Structural Information

Molecular Formula
C15H11NO2
SMILES
CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11NO2/c1-10-7-8-13-12(9-10)15(17)18-14(16-13)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
XUKXDTOQDIGVOS-UHFFFAOYSA-N
Compound name
6-methyl-2-phenyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

14
Patents

237.07898 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.086256 150.4
[M+Na]+ 260.068198 161.3
[M-H]- 236.071704 158.2
[M+NH4]+ 255.112803 166.7
[M+K]+ 276.042138 157.8
[M+H-H2O]+ 220.076240 142.0
[M+HCOO]- 282.077181 172.6
[M+CH3COO]- 296.092831 164.1
[M+Na-2H]- 258.053646 159.6
[M]+ 237.07843142 152.9
[M]- 237.07952858 152.9
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