CID 3071664

Brn 4816223

Structural Information

Molecular Formula
C13H11N3O3
SMILES
CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3OC
InChI
InChI=1S/C13H11N3O3/c1-16-11-9(7-14-16)13(17)19-12(15-11)8-5-3-4-6-10(8)18-2/h3-7H,1-2H3
InChIKey
VJSUICOUCKHBBV-UHFFFAOYSA-N
Compound name
6-(2-methoxyphenyl)-1-methylpyrazolo[3,4-d][1,3]oxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08733 154.6
[M+Na]+ 280.06927 167.9
[M-H]- 256.07277 160.6
[M+NH4]+ 275.11387 169.5
[M+K]+ 296.04321 164.9
[M+H-H2O]+ 240.07731 145.7
[M+HCOO]- 302.07825 177.0
[M+CH3COO]- 316.09390 168.5
[M+Na-2H]- 278.05472 161.8
[M]+ 257.07950 161.5
[M]- 257.08060 161.5
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.