CID 5525687

4-chloro-7h-imidazo[4,5-d][1,2,3]triazine dihydrochloride

Structural Information

Molecular Formula
C4H2ClN5
SMILES
C1=NC2=C(N1)C(=NN=N2)Cl
InChI
InChI=1S/C4H2ClN5/c5-3-2-4(7-1-6-2)9-10-8-3/h1H,(H,6,7,8,9)
InChIKey
DLGUQJMHVBPJQD-UHFFFAOYSA-N
Compound name
4-chloro-5H-imidazo[4,5-d]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

154.99988 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.007156 125.2
[M+Na]+ 177.989098 138.4
[M-H]- 153.992604 122.3
[M+NH4]+ 173.033703 142.5
[M+K]+ 193.963038 133.6
[M+H-H2O]+ 137.997140 116.8
[M+HCOO]- 199.998081 140.3
[M+CH3COO]- 214.013731 138.4
[M+Na-2H]- 175.974546 135.4
[M]+ 154.99933142 126.9
[M]- 155.00042858 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe