CID 348224

7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine

Structural Information

Molecular Formula
C5H4ClN5
SMILES
C1=NC(=C(C2=NN=CN21)N)Cl
InChI
InChI=1S/C5H4ClN5/c6-4-3(7)5-10-9-2-11(5)1-8-4/h1-2H,7H2
InChIKey
JJRMZBCFIRABIK-UHFFFAOYSA-N
Compound name
7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 129.4
[M+Na]+ 192.00474 142.7
[M-H]- 168.00824 129.1
[M+NH4]+ 187.04934 148.0
[M+K]+ 207.97868 138.2
[M+H-H2O]+ 152.01278 121.5
[M+HCOO]- 214.01372 147.6
[M+CH3COO]- 228.02937 143.3
[M+Na-2H]- 189.99019 138.5
[M]+ 169.01497 131.6
[M]- 169.01607 131.6
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