CID 3072248

Brn 4878275

Structural Information

Molecular Formula
C12H12N6O2
SMILES
COC1=CC=C(C=C1)NC2=NC3=C(C=NN3)C(=O)N2N
InChI
InChI=1S/C12H12N6O2/c1-20-8-4-2-7(3-5-8)15-12-16-10-9(6-14-17-10)11(19)18(12)13/h2-6H,13H2,1H3,(H2,14,15,16,17)
InChIKey
OLRLRSXQYWSOJT-UHFFFAOYSA-N
Compound name
5-amino-6-(4-methoxyanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.10217 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10945 158.5
[M+Na]+ 295.09139 169.9
[M-H]- 271.09489 161.1
[M+NH4]+ 290.13599 171.1
[M+K]+ 311.06533 164.1
[M+H-H2O]+ 255.09943 149.0
[M+HCOO]- 317.10037 180.7
[M+CH3COO]- 331.11602 170.1
[M+Na-2H]- 293.07684 166.0
[M]+ 272.10162 159.6
[M]- 272.10272 159.6
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.