CID 221095

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

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=NNC2=C1C(=NC=N2)Cl
InChI
InChI=1S/C5H3ClN4/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H,7,8,9,10)
InChIKey
YMXQUFUYCADCFL-UHFFFAOYSA-N
Compound name
4-chloro-1H-pyrazolo[3,4-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1002
Patents

154.00462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01190 124.7
[M+Na]+ 176.99384 140.0
[M+NH4]+ 172.03844 133.1
[M+K]+ 192.96778 135.1
[M-H]- 152.99734 124.7
[M+Na-2H]- 174.97929 132.4
[M]+ 154.00407 127.1
[M]- 154.00517 127.1
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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