CID 3087660

Brn 4813547

Structural Information

Molecular Formula
C12H10N4O2
SMILES
CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3N
InChI
InChI=1S/C12H10N4O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,13H2,1H3
InChIKey
FABSUUOLNUKNBK-UHFFFAOYSA-N
Compound name
6-(2-aminophenyl)-1-methylpyrazolo[3,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.08037 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.08765 152.0
[M+Na]+ 265.06959 165.1
[M-H]- 241.07309 157.8
[M+NH4]+ 260.11419 167.0
[M+K]+ 281.04353 161.2
[M+H-H2O]+ 225.07763 143.2
[M+HCOO]- 287.07857 175.1
[M+CH3COO]- 301.09422 165.7
[M+Na-2H]- 263.05504 159.3
[M]+ 242.07982 155.6
[M]- 242.08092 155.6
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.