CID 3087663

Brn 4819206

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[3,4-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]+ 306.08733 168.1
[M+Na]+ 328.06927 180.3
[M-H]- 304.07277 175.8
[M+NH4]+ 323.11387 179.5
[M+K]+ 344.04321 175.0
[M+H-H2O]+ 288.07731 157.9
[M+HCOO]- 350.07825 188.7
[M+CH3COO]- 364.09390 180.3
[M+Na-2H]- 326.05472 174.7
[M]+ 305.07950 171.7
[M]- 305.08060 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.