CID 3011876

8-methoxy-2-phenyl-3,1-benzoxazin-4-one

Structural Information

Molecular Formula
C15H11NO3
SMILES
COC1=CC=CC2=C1N=C(OC2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11NO3/c1-18-12-9-5-8-11-13(12)16-14(19-15(11)17)10-6-3-2-4-7-10/h2-9H,1H3
InChIKey
JNCAPIFETCVMRF-UHFFFAOYSA-N
Compound name
8-methoxy-2-phenyl-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

253.0739 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 153.7
[M+Na]+ 276.06312 164.3
[M-H]- 252.06662 161.4
[M+NH4]+ 271.10772 169.2
[M+K]+ 292.03706 161.5
[M+H-H2O]+ 236.07116 145.0
[M+HCOO]- 298.07210 176.0
[M+CH3COO]- 312.08775 167.2
[M+Na-2H]- 274.04857 162.9
[M]+ 253.07335 157.6
[M]- 253.07445 157.6
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.