CID 21065644

5,7-dichloro-3-(propan-2-yl)pyrazolo[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

136
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 144.6
[M+Na]+ 252.00657 157.8
[M-H]- 228.01007 145.2
[M+NH4]+ 247.05117 163.4
[M+K]+ 267.98051 152.2
[M+H-H2O]+ 212.01461 137.7
[M+HCOO]- 274.01555 156.1
[M+CH3COO]- 288.03120 157.7
[M+Na-2H]- 249.99202 149.4
[M]+ 229.01680 150.1
[M]- 229.01790 150.1
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