CID 470927

Diethyl 2-(pyrazine-2-carbonylamino)butanedioate

Structural Information

Molecular Formula
C13H17N3O5
SMILES
CCOC(=O)CC(C(=O)OCC)NC(=O)C1=NC=CN=C1
InChI
InChI=1S/C13H17N3O5/c1-3-20-11(17)7-9(13(19)21-4-2)16-12(18)10-8-14-5-6-15-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,16,18)
InChIKey
IZHRTQZCVXMMOQ-UHFFFAOYSA-N
Compound name
diethyl 2-(pyrazine-2-carbonylamino)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.11682 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12410 166.3
[M+Na]+ 318.10604 170.6
[M-H]- 294.10954 166.6
[M+NH4]+ 313.15064 177.9
[M+K]+ 334.07998 170.5
[M+H-H2O]+ 278.11408 157.3
[M+HCOO]- 340.11502 185.7
[M+CH3COO]- 354.13067 202.9
[M+Na-2H]- 316.09149 168.4
[M]+ 295.11627 170.2
[M]- 295.11737 170.2
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.