CID 3087663

Pyrazolo(3,4-d)(1,3)oxazin-4(1h)-one, 6-(2-hydroxyphenyl)-1-phenyl-

Structural Information

Molecular Formula
C17H11N3O3
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)C4=CC=CC=C4O
InChI
InChI=1S/C17H11N3O3/c21-14-9-5-4-8-12(14)16-19-15-13(17(22)23-16)10-18-20(15)11-6-2-1-3-7-11/h1-10,21H
InChIKey
ZHHAXRWNPOFCOS-UHFFFAOYSA-N
Compound name
6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08005 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.087326 168.1
[M+Na]+ 328.069268 180.3
[M-H]- 304.072774 175.8
[M+NH4]+ 323.113873 179.5
[M+K]+ 344.043208 175.0
[M+H-H2O]+ 288.077310 157.9
[M+HCOO]- 350.078251 188.7
[M+CH3COO]- 364.093901 180.3
[M+Na-2H]- 326.054716 174.7
[M]+ 305.07950142 171.7
[M]- 305.08059858 171.7
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.