CID 57415862

5,7-dichloro-1-methyl-1h-pyrazolo[4,3-d]pyrimidine

Structural Information

Molecular Formula
C6H4Cl2N4
SMILES
CN1C2=C(C=N1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C6H4Cl2N4/c1-12-4-3(2-9-12)10-6(8)11-5(4)7/h2H,1H3
InChIKey
ILSHTSRLVMUZKS-UHFFFAOYSA-N
Compound name
5,7-dichloro-1-methylpyrazolo[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

201.98131 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98859 135.2
[M+Na]+ 224.97053 152.0
[M+NH4]+ 220.01513 143.8
[M+K]+ 240.94447 146.1
[M-H]- 200.97403 135.7
[M+Na-2H]- 222.95598 142.6
[M]+ 201.98076 138.3
[M]- 201.98186 138.3
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