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 138.7
[M+Na]+ 219.04079 151.3
[M-H]- 195.04429 138.5
[M+NH4]+ 214.08539 156.8
[M+K]+ 235.01473 147.0
[M+H-H2O]+ 179.04883 130.6
[M+HCOO]- 241.04977 154.5
[M+CH3COO]- 255.06542 152.0
[M+Na-2H]- 217.02624 145.5
[M]+ 196.05102 143.1
[M]- 196.05212 143.1
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