CID 692942

Brn 4815024

Structural Information

Molecular Formula
C17H11N3O2
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2
InChI
InChI=1S/C17H11N3O2/c21-17-14-11-18-20(13-9-5-2-6-10-13)15(14)19-16(22-17)12-7-3-1-4-8-12/h1-11H
InChIKey
BCCJIDPZJCOJRY-UHFFFAOYSA-N
Compound name
1,6-diphenylpyrazolo[3,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

289.0851 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09238 163.6
[M+Na]+ 312.07432 182.7
[M+NH4]+ 307.11892 171.9
[M+K]+ 328.04826 176.0
[M-H]- 288.07782 170.6
[M+Na-2H]- 310.05977 175.2
[M]+ 289.08455 168.6
[M]- 289.08565 168.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.