CID 30402

Brn 1587032

Structural Information

Molecular Formula
C15H13NO3
SMILES
COC1=CC2=C(C=C1)OCN(C2=O)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO3/c1-18-12-7-8-14-13(9-12)15(17)16(10-19-14)11-5-3-2-4-6-11/h2-9H,10H2,1H3
InChIKey
RCENMZAEUSQVFQ-UHFFFAOYSA-N
Compound name
6-methoxy-3-phenyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 155.8
[M+Na]+ 278.07876 171.7
[M+NH4]+ 273.12336 164.6
[M+K]+ 294.05270 164.1
[M-H]- 254.08226 161.7
[M+Na-2H]- 276.06421 163.9
[M]+ 255.08899 159.9
[M]- 255.09009 159.9
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.