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

135
Patents

229.01735 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.024626 144.6
[M+Na]+ 252.006568 157.8
[M-H]- 228.010074 145.2
[M+NH4]+ 247.051173 163.4
[M+K]+ 267.980508 152.2
[M+H-H2O]+ 212.014610 137.7
[M+HCOO]- 274.015551 156.1
[M+CH3COO]- 288.031201 157.7
[M+Na-2H]- 249.992016 149.4
[M]+ 229.01680142 150.1
[M]- 229.01789858 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