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[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

230.0126 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01988 144.1
[M+Na]+ 253.00182 157.6
[M-H]- 229.00532 143.4
[M+NH4]+ 248.04642 161.4
[M+K]+ 268.97576 152.2
[M+H-H2O]+ 213.00986 136.3
[M+HCOO]- 275.01080 154.5
[M+CH3COO]- 289.02645 156.8
[M+Na-2H]- 250.98727 149.3
[M]+ 230.01205 149.5
[M]- 230.01315 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