CID 55170296

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

Structural Information

Molecular Formula
C12H10ClN5
SMILES
C1=CC(=CC(=C1)Cl)CN2C3=NC=NC(=C3C=N2)N
InChI
InChI=1S/C12H10ClN5/c13-9-3-1-2-8(4-9)6-18-12-10(5-17-18)11(14)15-7-16-12/h1-5,7H,6H2,(H2,14,15,16)
InChIKey
NZASFVZAXQNYCC-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.06247 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06975 155.8
[M+Na]+ 282.05169 168.4
[M-H]- 258.05519 158.5
[M+NH4]+ 277.09629 170.6
[M+K]+ 298.02563 161.2
[M+H-H2O]+ 242.05973 146.0
[M+HCOO]- 304.06067 173.0
[M+CH3COO]- 318.07632 168.0
[M+Na-2H]- 280.03714 162.8
[M]+ 259.06192 158.7
[M]- 259.06302 158.7
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.