CID 76847035

4,6-dichloro-3-(propan-2-yl)-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C8H8Cl2N4
SMILES
CC(C)C1=C2C(=NN1)N=C(N=C2Cl)Cl
InChI
InChI=1S/C8H8Cl2N4/c1-3(2)5-4-6(9)11-8(10)12-7(4)14-13-5/h3H,1-2H3,(H,11,12,13,14)
InChIKey
HJCVCIYLKUNPOS-UHFFFAOYSA-N
Compound name
4,6-dichloro-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

230.0126 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.019876 144.4
[M+Na]+ 253.001818 157.5
[M-H]- 229.005324 142.4
[M+NH4]+ 248.046423 161.0
[M+K]+ 268.975758 151.3
[M+H-H2O]+ 213.009860 137.0
[M+HCOO]- 275.010801 153.4
[M+CH3COO]- 289.026451 156.5
[M+Na-2H]- 250.987266 149.2
[M]+ 230.01205142 148.1
[M]- 230.01314858 148.1
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