CID 3087778

3h-1,4-benzoxazin-3(4h)-one, 7-benzoyl-

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1C(=O)NC2=C(O1)C=C(C=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H11NO3/c17-14-9-19-13-8-11(6-7-12(13)16-14)15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
InChIKey
TZRNVVWHEHJLOL-UHFFFAOYSA-N
Compound name
7-benzoyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

253.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.081176 154.4
[M+Na]+ 276.063118 161.6
[M-H]- 252.066624 159.7
[M+NH4]+ 271.107723 168.5
[M+K]+ 292.037058 158.1
[M+H-H2O]+ 236.071160 146.1
[M+HCOO]- 298.072101 171.6
[M+CH3COO]- 312.087751 165.8
[M+Na-2H]- 274.048566 160.8
[M]+ 253.07335142 152.0
[M]- 253.07444858 152.0
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

patents stripe