CID 3797861

321571-07-7

Structural Information

Molecular Formula
C12H14N4O4
SMILES
CCOC(=O)C1=C(NN=C1)NC=C(C#N)C(=O)OCC
InChI
InChI=1S/C12H14N4O4/c1-3-19-11(17)8(5-13)6-14-10-9(7-15-16-10)12(18)20-4-2/h6-7H,3-4H2,1-2H3,(H2,14,15,16)
InChIKey
GMGGKDVJSPDXNB-UHFFFAOYSA-N
Compound name
ethyl 5-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1015 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.10878 163.6
[M+Na]+ 301.09072 169.9
[M+NH4]+ 296.13532 163.5
[M+K]+ 317.06466 165.8
[M-H]- 277.09422 153.4
[M+Na-2H]- 299.07617 162.1
[M]+ 278.10095 160.0
[M]- 278.10205 160.0
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.