CID 54594378

Ethyl 2-{8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}-2-oxoacetate

Structural Information

Molecular Formula
C9H7ClN4O3
SMILES
CCOC(=O)C(=O)C1=NN=C2N1C=CN=C2Cl
InChI
InChI=1S/C9H7ClN4O3/c1-2-17-9(16)5(15)7-12-13-8-6(10)11-3-4-14(7)8/h3-4H,2H2,1H3
InChIKey
YSNFTNCVUOBEBA-UHFFFAOYSA-N
Compound name
ethyl 2-(8-chloro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.02066 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.02794 149.0
[M+Na]+ 277.00988 161.0
[M-H]- 253.01338 149.1
[M+NH4]+ 272.05448 164.3
[M+K]+ 292.98382 157.5
[M+H-H2O]+ 237.01792 140.8
[M+HCOO]- 299.01886 164.5
[M+CH3COO]- 313.03451 191.2
[M+Na-2H]- 274.99533 154.5
[M]+ 254.02011 155.9
[M]- 254.02121 155.9
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.