CID 20795977

4-chloro-6-methyl-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C6H5ClN4
SMILES
CC1=NC2=C(C=NN2)C(=N1)Cl
InChI
InChI=1S/C6H5ClN4/c1-3-9-5(7)4-2-8-11-6(4)10-3/h2H,1H3,(H,8,9,10,11)
InChIKey
OWBUPPWTPDJDHZ-UHFFFAOYSA-N
Compound name
4-chloro-6-methyl-1H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

168.02028 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.02756 129.5
[M+Na]+ 191.00950 145.0
[M+NH4]+ 186.05410 137.7
[M+K]+ 206.98344 140.0
[M-H]- 167.01300 129.5
[M+Na-2H]- 188.99495 136.6
[M]+ 168.01973 131.9
[M]- 168.02083 131.9
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

patents stripe