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 129.7
[M+Na]+ 192.00474 142.7
[M-H]- 168.00824 128.2
[M+NH4]+ 187.04934 147.7
[M+K]+ 207.97868 137.3
[M+H-H2O]+ 152.01278 122.2
[M+HCOO]- 214.01372 146.5
[M+CH3COO]- 228.02937 143.0
[M+Na-2H]- 189.99019 138.4
[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.

Literature stripe

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Patent stripe

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