CID 135734186

1-[(2,4-dichlorophenyl)methyl]-1h-pyrazolo[3,4-d]pyrimidin-4-ol

Structural Information

Molecular Formula
C12H8Cl2N4O
SMILES
C1=CC(=C(C=C1Cl)Cl)CN2C3=C(C=N2)C(=O)NC=N3
InChI
InChI=1S/C12H8Cl2N4O/c13-8-2-1-7(10(14)3-8)5-18-11-9(4-17-18)12(19)16-6-15-11/h1-4,6H,5H2,(H,15,16,19)
InChIKey
NBGZIYOCPHNYOG-UHFFFAOYSA-N
Compound name
1-[(2,4-dichlorophenyl)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0075 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.01478 160.3
[M+Na]+ 316.99672 174.3
[M-H]- 293.00022 161.6
[M+NH4]+ 312.04132 174.1
[M+K]+ 332.97066 166.0
[M+H-H2O]+ 277.00476 151.2
[M+HCOO]- 339.00570 170.5
[M+CH3COO]- 353.02135 171.8
[M+Na-2H]- 314.98217 165.5
[M]+ 294.00695 164.8
[M]- 294.00805 164.8
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.