CID 42609352

4,6-dichloro-1-isopropyl-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C8H8Cl2N4
SMILES
CC(C)N1C2=C(C=N1)C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C8H8Cl2N4/c1-4(2)14-7-5(3-11-14)6(9)12-8(10)13-7/h3-4H,1-2H3
InChIKey
SHTPXXJWYCEZPN-UHFFFAOYSA-N
Compound name
4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

230.0126 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.019876 144.1
[M+Na]+ 253.001818 157.6
[M-H]- 229.005324 143.4
[M+NH4]+ 248.046423 161.4
[M+K]+ 268.975758 152.2
[M+H-H2O]+ 213.009860 136.3
[M+HCOO]- 275.010801 154.5
[M+CH3COO]- 289.026451 156.8
[M+Na-2H]- 250.987266 149.3
[M]+ 230.01205142 149.5
[M]- 230.01314858 149.5
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