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

0
Patents

230.0126 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.01988 144.4
[M+Na]+ 253.00182 157.5
[M-H]- 229.00532 142.4
[M+NH4]+ 248.04642 161.0
[M+K]+ 268.97576 151.3
[M+H-H2O]+ 213.00986 137.0
[M+HCOO]- 275.01080 153.4
[M+CH3COO]- 289.02645 156.5
[M+Na-2H]- 250.98727 149.2
[M]+ 230.01205 148.1
[M]- 230.01315 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

No patent data available for this compound.