CID 135463057

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

Structural Information

Molecular Formula
C12H9ClN4O
SMILES
C1=CC(=CC=C1CN2C3=C(C=N2)C(=O)NC=N3)Cl
InChI
InChI=1S/C12H9ClN4O/c13-9-3-1-8(2-4-9)6-17-11-10(5-16-17)12(18)15-7-14-11/h1-5,7H,6H2,(H,14,15,18)
InChIKey
JOZFGNICYPCSTR-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04648 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05376 154.2
[M+Na]+ 283.03570 171.5
[M+NH4]+ 278.08030 161.9
[M+K]+ 299.00964 165.2
[M-H]- 259.03920 156.4
[M+Na-2H]- 281.02115 163.1
[M]+ 260.04593 157.6
[M]- 260.04703 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.