CID 16767710

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

Structural Information

Molecular Formula
C10H11ClN4O2
SMILES
CCCC1=NC2=NC(=NN2C(=C1)Cl)C(=O)OC
InChI
InChI=1S/C10H11ClN4O2/c1-3-4-6-5-7(11)15-10(12-6)13-8(14-15)9(16)17-2/h5H,3-4H2,1-2H3
InChIKey
UBURHQWFVWFBDM-UHFFFAOYSA-N
Compound name
methyl 7-chloro-5-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 152.9
[M+Na]+ 277.046268 165.5
[M-H]- 253.049774 153.0
[M+NH4]+ 272.090873 168.8
[M+K]+ 293.020208 161.3
[M+H-H2O]+ 237.054310 144.6
[M+HCOO]- 299.055251 168.6
[M+CH3COO]- 313.070901 193.2
[M+Na-2H]- 275.031716 158.0
[M]+ 254.05650142 160.4
[M]- 254.05759858 160.4
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

No patent data available for this compound.