CID 16767618

Methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C9H9ClN4O2
SMILES
CCC1=NC2=NC(=NN2C(=C1)Cl)C(=O)OC
InChI
InChI=1S/C9H9ClN4O2/c1-3-5-4-6(10)14-9(11-5)12-7(13-14)8(15)16-2/h4H,3H2,1-2H3
InChIKey
FNPGGGAPYWZFNL-UHFFFAOYSA-N
Compound name
methyl 7-chloro-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.0414 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04868 148.2
[M+Na]+ 263.03062 161.4
[M-H]- 239.03412 148.5
[M+NH4]+ 258.07522 164.7
[M+K]+ 279.00456 157.3
[M+H-H2O]+ 223.03866 140.2
[M+HCOO]- 285.03960 164.3
[M+CH3COO]- 299.05525 190.3
[M+Na-2H]- 261.01607 153.9
[M]+ 240.04085 155.4
[M]- 240.04195 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.