CID 30430

20978-95-4

Structural Information

Molecular Formula
C15H13NO2
SMILES
CC1N(C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3
InChI
InChI=1S/C15H13NO2/c1-11-16(12-7-3-2-4-8-12)15(17)13-9-5-6-10-14(13)18-11/h2-11H,1H3
InChIKey
MCDVSIPUWBFPBI-UHFFFAOYSA-N
Compound name
2-methyl-3-phenyl-2H-1,3-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 152.3
[M+Na]+ 262.08386 161.0
[M-H]- 238.08736 159.3
[M+NH4]+ 257.12846 168.2
[M+K]+ 278.05780 157.9
[M+H-H2O]+ 222.09190 143.8
[M+HCOO]- 284.09284 171.6
[M+CH3COO]- 298.10849 164.9
[M+Na-2H]- 260.06931 159.5
[M]+ 239.09409 151.9
[M]- 239.09519 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.