CID 13338407

89239-22-5

Structural Information

Molecular Formula
C8H9ClN4
SMILES
CC1=NN(C2=C1N=C(N=C2Cl)C)C
InChI
InChI=1S/C8H9ClN4/c1-4-6-7(13(3)12-4)8(9)11-5(2)10-6/h1-3H3
InChIKey
BWESROVLRYCPEU-UHFFFAOYSA-N
Compound name
7-chloro-1,3,5-trimethylpyrazolo[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

196.05157 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05885 138.7
[M+Na]+ 219.04079 155.1
[M+NH4]+ 214.08539 147.0
[M+K]+ 235.01473 149.7
[M-H]- 195.04429 139.4
[M+Na-2H]- 217.02624 145.4
[M]+ 196.05102 141.6
[M]- 196.05212 141.6
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