CID 80725400

1-[(3-chlorophenyl)methyl]-6-methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine

Structural Information

Molecular Formula
C13H12ClN5
SMILES
CC1=NC(=C2C=NN(C2=N1)CC3=CC(=CC=C3)Cl)N
InChI
InChI=1S/C13H12ClN5/c1-8-17-12(15)11-6-16-19(13(11)18-8)7-9-3-2-4-10(14)5-9/h2-6H,7H2,1H3,(H2,15,17,18)
InChIKey
OSSWNOUJZDMFDV-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-6-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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08540 161.5
[M+Na]+ 296.06734 174.5
[M-H]- 272.07084 164.4
[M+NH4]+ 291.11194 176.0
[M+K]+ 312.04128 167.1
[M+H-H2O]+ 256.07538 151.8
[M+HCOO]- 318.07632 178.3
[M+CH3COO]- 332.09197 173.5
[M+Na-2H]- 294.05279 167.1
[M]+ 273.07757 165.1
[M]- 273.07867 165.1
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.