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]+ 255.06433 152.9
[M+Na]+ 277.04627 165.5
[M-H]- 253.04977 153.0
[M+NH4]+ 272.09087 168.8
[M+K]+ 293.02021 161.3
[M+H-H2O]+ 237.05431 144.6
[M+HCOO]- 299.05525 168.6
[M+CH3COO]- 313.07090 193.2
[M+Na-2H]- 275.03172 158.0
[M]+ 254.05650 160.4
[M]- 254.05760 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.