CID 21065644

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

Structural Information

Molecular Formula
C9H9Cl2N3
SMILES
CC(C)C1=C2N=C(C=C(N2N=C1)Cl)Cl
InChI
InChI=1S/C9H9Cl2N3/c1-5(2)6-4-12-14-8(11)3-7(10)13-9(6)14/h3-5H,1-2H3
InChIKey
VAAJGCDAYQIYPO-UHFFFAOYSA-N
Compound name
5,7-dichloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

229.01735 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02463 144.3
[M+Na]+ 252.00657 160.5
[M+NH4]+ 247.05117 153.2
[M+K]+ 267.98051 154.4
[M-H]- 228.01007 145.4
[M+Na-2H]- 249.99202 151.1
[M]+ 229.01680 147.6
[M]- 229.01790 147.6
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