CID 3087661

Brn 4813546

Structural Information

Molecular Formula
C12H9N3O3
SMILES
CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3O
InChI
InChI=1S/C12H9N3O3/c1-15-10-8(6-13-15)12(17)18-11(14-10)7-4-2-3-5-9(7)16/h2-6,16H,1H3
InChIKey
BDEAHWCSSGRCOK-UHFFFAOYSA-N
Compound name
6-(2-hydroxyphenyl)-1-methylpyrazolo[3,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.06439 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07167 150.6
[M+Na]+ 266.05361 167.1
[M+NH4]+ 261.09821 157.6
[M+K]+ 282.02755 163.1
[M-H]- 242.05711 154.0
[M+Na-2H]- 264.03906 158.2
[M]+ 243.06384 153.9
[M]- 243.06494 153.9
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.