CID 66570657

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

Structural Information

Molecular Formula
C5H3ClN4
SMILES
C1=NNC2=C1N=CN=C2Cl
InChI
InChI=1S/C5H3ClN4/c6-5-4-3(1-9-10-4)7-2-8-5/h1-2H,(H,9,10)
InChIKey
HHENWMDMGFNJEO-UHFFFAOYSA-N
Compound name
7-chloro-1H-pyrazolo[4,3-d]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

154.00462 Da
Monoisotopic Mass

0.9
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

No literature data available for this compound.

Patent stripe

patents stripe