CID 63278745

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

Structural Information

Molecular Formula
C13H12ClN5
SMILES
CNC1=C2C=NN(C2=NC=N1)CC3=CC(=CC=C3)Cl
InChI
InChI=1S/C13H12ClN5/c1-15-12-11-6-18-19(13(11)17-8-16-12)7-9-3-2-4-10(14)5-9/h2-6,8H,7H2,1H3,(H,15,16,17)
InChIKey
IOKNLRCEKPFKIE-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.07812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08540 160.0
[M+Na]+ 296.06734 172.0
[M-H]- 272.07084 163.0
[M+NH4]+ 291.11194 174.4
[M+K]+ 312.04128 165.0
[M+H-H2O]+ 256.07538 149.9
[M+HCOO]- 318.07632 177.4
[M+CH3COO]- 332.09197 171.9
[M+Na-2H]- 294.05279 167.5
[M]+ 273.07757 164.1
[M]- 273.07867 164.1
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.