CID 16767691

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

Structural Information

Molecular Formula
C10H11ClN4O2
SMILES
CC(C)C1=NC2=NC(=NN2C(=C1)Cl)C(=O)OC
InChI
InChI=1S/C10H11ClN4O2/c1-5(2)6-4-7(11)15-10(12-6)13-8(14-15)9(16)17-3/h4-5H,1-3H3
InChIKey
BIPTTZMZSCIYMX-UHFFFAOYSA-N
Compound name
methyl 7-chloro-5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

254.05705 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.06433 152.3
[M+Na]+ 277.04627 166.3
[M+NH4]+ 272.09087 158.6
[M+K]+ 293.02021 162.9
[M-H]- 253.04977 151.3
[M+Na-2H]- 275.03172 157.1
[M]+ 254.05650 154.1
[M]- 254.05760 154.1
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