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

37
Patents

194.03592 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.043196 147.0
[M+Na]+ 217.025138 160.9
[M-H]- 193.028644 148.8
[M+NH4]+ 212.069743 159.4
[M+K]+ 232.999078 153.4
[M+H-H2O]+ 177.033180 138.3
[M+HCOO]- 239.034121 162.7
[M+CH3COO]- 253.049771 159.0
[M+Na-2H]- 215.010586 153.4
[M]+ 194.03537142 150.5
[M]- 194.03646858 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

patents stripe