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]+ 255.064326 152.3
[M+Na]+ 277.046268 164.8
[M-H]- 253.049774 152.7
[M+NH4]+ 272.090873 168.2
[M+K]+ 293.020208 161.0
[M+H-H2O]+ 237.054310 144.4
[M+HCOO]- 299.055251 167.2
[M+CH3COO]- 313.070901 194.1
[M+Na-2H]- 275.031716 156.5
[M]+ 254.05650142 159.4
[M]- 254.05759858 159.4
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