CID 49761309

5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H5Cl2N3
SMILES
CC1=C2N=C(C=C(N2N=C1)Cl)Cl
InChI
InChI=1S/C7H5Cl2N3/c1-4-3-10-12-6(9)2-5(8)11-7(4)12/h2-3H,1H3
InChIKey
SHZDPXWKNQJIMX-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-methylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

200.98605 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.993326 135.8
[M+Na]+ 223.975268 150.1
[M-H]- 199.978774 136.5
[M+NH4]+ 219.019873 155.7
[M+K]+ 239.949208 144.5
[M+H-H2O]+ 183.983310 129.1
[M+HCOO]- 245.984251 148.9
[M+CH3COO]- 259.999901 149.8
[M+Na-2H]- 221.960716 142.7
[M]+ 200.98550142 141.0
[M]- 200.98659858 141.0
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