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

8
Patents

253.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 154.4
[M+Na]+ 276.06312 161.6
[M-H]- 252.06662 159.7
[M+NH4]+ 271.10772 168.5
[M+K]+ 292.03706 158.1
[M+H-H2O]+ 236.07116 146.1
[M+HCOO]- 298.07210 171.6
[M+CH3COO]- 312.08775 165.8
[M+Na-2H]- 274.04857 160.8
[M]+ 253.07335 152.0
[M]- 253.07445 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