CID 3078878

Brn 5974994

Structural Information

Molecular Formula
C17H15NO3
SMILES
CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C17H15NO3/c1-11-17(20)18(2)14-9-8-13(10-15(14)21-11)16(19)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey
VJTIMODGBHVQBL-UHFFFAOYSA-N
Compound name
7-benzoyl-2,4-dimethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.5
[M+Na]+ 304.09442 172.1
[M-H]- 280.09792 170.6
[M+NH4]+ 299.13902 177.8
[M+K]+ 320.06836 169.2
[M+H-H2O]+ 264.10246 154.9
[M+HCOO]- 326.10340 181.5
[M+CH3COO]- 340.11905 202.3
[M+Na-2H]- 302.07987 167.8
[M]+ 281.10465 164.4
[M]- 281.10575 164.4
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.