CID 16767830

7-chloro-5-(propan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C8H9ClN4
SMILES
CC(C)C1=NC2=NC=NN2C(=C1)Cl
InChI
InChI=1S/C8H9ClN4/c1-5(2)6-3-7(9)13-8(12-6)10-4-11-13/h3-5H,1-2H3
InChIKey
ZOHISTHIFGDJGS-UHFFFAOYSA-N
Compound name
7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.05157 Da
Monoisotopic Mass

2.2
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.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe