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 164.8
[M-H]- 253.04977 152.7
[M+NH4]+ 272.09087 168.2
[M+K]+ 293.02021 161.0
[M+H-H2O]+ 237.05431 144.4
[M+HCOO]- 299.05525 167.2
[M+CH3COO]- 313.07090 194.1
[M+Na-2H]- 275.03172 156.5
[M]+ 254.05650 159.4
[M]- 254.05760 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