CID 10487659

7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CC1=NC2=C(C=NN2C(=C1)Cl)C
InChI
InChI=1S/C8H8ClN3/c1-5-4-10-12-7(9)3-6(2)11-8(5)12/h3-4H,1-2H3
InChIKey
CZEKNLREIQNGCT-UHFFFAOYSA-N
Compound name
7-chloro-3,5-dimethylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

181.04068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04796 133.6
[M+Na]+ 204.02990 149.9
[M+NH4]+ 199.07450 142.8
[M+K]+ 220.00384 144.0
[M-H]- 180.03340 135.1
[M+Na-2H]- 202.01535 141.1
[M]+ 181.04013 136.7
[M]- 181.04123 136.7
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.

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