CID 52911254

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

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=C2C=NNC2=NC(=N1)Cl
InChI
InChI=1S/C5H3ClN4/c6-5-7-1-3-2-8-10-4(3)9-5/h1-2H,(H,7,8,9,10)
InChIKey
CZAPPYRAFCOFOL-UHFFFAOYSA-N
Compound name
6-chloro-1H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

286
Patents

154.00462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.011896 125.0
[M+Na]+ 176.993838 137.8
[M-H]- 152.997344 123.4
[M+NH4]+ 172.038443 143.8
[M+K]+ 192.967778 133.0
[M+H-H2O]+ 137.001880 117.3
[M+HCOO]- 199.002821 141.3
[M+CH3COO]- 213.018471 138.7
[M+Na-2H]- 174.979286 134.9
[M]+ 154.00407142 126.6
[M]- 154.00516858 126.6
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