CID 43144424

7-chloro-3-(propan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine

Structural Information

Molecular Formula
C8H9ClN4
SMILES
CC(C)C1=NN=C2N1C=NC(=C2)Cl
InChI
InChI=1S/C8H9ClN4/c1-5(2)8-12-11-7-3-6(9)10-4-13(7)8/h3-5H,1-2H3
InChIKey
YNJASWJILWICRD-UHFFFAOYSA-N
Compound name
7-chloro-3-propan-2-yl-[1,2,4]triazolo[4,3-c]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

196.05157 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05885 137.9
[M+Na]+ 219.04079 153.3
[M+NH4]+ 214.08539 146.1
[M+K]+ 235.01473 148.3
[M-H]- 195.04429 138.3
[M+Na-2H]- 217.02624 144.9
[M]+ 196.05102 140.5
[M]- 196.05212 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.