CID 83669544

7-chloro-1,5-dimethyl-1h-pyrazolo[4,3-d]pyrimidine

Structural Information

Molecular Formula
C7H7ClN4
SMILES
CC1=NC2=C(C(=N1)Cl)N(N=C2)C
InChI
InChI=1S/C7H7ClN4/c1-4-10-5-3-9-12(2)6(5)7(8)11-4/h3H,1-2H3
InChIKey
XJAUVZUFRYLSCF-UHFFFAOYSA-N
Compound name
7-chloro-1,5-dimethylpyrazolo[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

182.03592 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04320 133.8
[M+Na]+ 205.02514 150.0
[M+NH4]+ 200.06974 142.3
[M+K]+ 220.99908 144.7
[M-H]- 181.02864 134.4
[M+Na-2H]- 203.01059 141.1
[M]+ 182.03537 136.6
[M]- 182.03647 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.