CID 85438897

5-chloro-1h-pyrazolo[3,4-c]pyridazin-3-amine

Structural Information

Molecular Formula
C5H4ClN5
SMILES
C1=C2C(=NNC2=NN=C1Cl)N
InChI
InChI=1S/C5H4ClN5/c6-3-1-2-4(7)9-11-5(2)10-8-3/h1H,(H3,7,9,10,11)
InChIKey
HBENXQDIFRNASA-UHFFFAOYSA-N
Compound name
5-chloro-1H-pyrazolo[3,4-c]pyridazin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.01552 Da
Monoisotopic Mass

0.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.