CID 3087661

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

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[5,4-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]+ 244.071666 150.4
[M+Na]+ 266.053608 163.8
[M-H]- 242.057114 155.4
[M+NH4]+ 261.098213 165.2
[M+K]+ 282.027548 160.1
[M+H-H2O]+ 226.061650 142.1
[M+HCOO]- 288.062591 171.8
[M+CH3COO]- 302.078241 164.1
[M+Na-2H]- 264.039056 157.8
[M]+ 243.06384142 155.3
[M]- 243.06493858 155.3
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.