CID 11789625

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

Structural Information

Molecular Formula
C5H4ClN5
SMILES
C1=NNC2=C1C(=NC(=N2)N)Cl
InChI
InChI=1S/C5H4ClN5/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H3,7,8,9,10,11)
InChIKey
ASKOHPBJRRSUSJ-UHFFFAOYSA-N
Compound name
4-chloro-1H-pyrazolo[3,4-d]pyrimidin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

169.01552 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.02280 128.1
[M+Na]+ 192.00474 142.2
[M+NH4]+ 187.04934 135.8
[M+K]+ 207.97868 138.2
[M-H]- 168.00824 128.3
[M+Na-2H]- 189.99019 134.8
[M]+ 169.01497 130.2
[M]- 169.01607 130.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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