CID 84665808

4-chloro-3-cyclopropyl-1h-pyrazolo[3,4-d]pyrimidine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1CC1C2=C3C(=NN2)N=CN=C3Cl
InChI
InChI=1S/C8H7ClN4/c9-7-5-6(4-1-2-4)12-13-8(5)11-3-10-7/h3-4H,1-2H2,(H,10,11,12,13)
InChIKey
GHJXWEJXIRJPGG-UHFFFAOYSA-N
Compound name
4-chloro-3-cyclopropyl-2H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

194.03592 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 147.0
[M+Na]+ 217.02514 160.9
[M-H]- 193.02864 148.8
[M+NH4]+ 212.06974 159.4
[M+K]+ 232.99908 153.4
[M+H-H2O]+ 177.03318 138.3
[M+HCOO]- 239.03412 162.7
[M+CH3COO]- 253.04977 159.0
[M+Na-2H]- 215.01059 153.4
[M]+ 194.03537 150.5
[M]- 194.03647 150.5
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

No patent data available for this compound.