CID 49768214

4-(2,4-dioxo-1,3-benzoxazin-3-yl)benzonitrile

Structural Information

Molecular Formula
C15H8N2O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C(=O)O2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C15H8N2O3/c16-9-10-5-7-11(8-6-10)17-14(18)12-3-1-2-4-13(12)20-15(17)19/h1-8H
InChIKey
XPDKJDFWVFYAHS-UHFFFAOYSA-N
Compound name
4-(2,4-dioxo-1,3-benzoxazin-3-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.0535 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.06078 160.0
[M+Na]+ 287.04272 173.7
[M-H]- 263.04622 165.8
[M+NH4]+ 282.08732 173.2
[M+K]+ 303.01666 167.7
[M+H-H2O]+ 247.05076 144.9
[M+HCOO]- 309.05170 178.5
[M+CH3COO]- 323.06735 171.5
[M+Na-2H]- 285.02817 166.9
[M]+ 264.05295 157.7
[M]- 264.05405 157.7
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.