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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 279.10878 | 162.6 |
[M+Na]+ | 301.09072 | 169.1 |
[M-H]- | 277.09422 | 161.2 |
[M+NH4]+ | 296.13532 | 174.4 |
[M+K]+ | 317.06466 | 167.6 |
[M+H-H2O]+ | 261.09876 | 147.3 |
[M+HCOO]- | 323.09970 | 178.5 |
[M+CH3COO]- | 337.11535 | 207.5 |
[M+Na-2H]- | 299.07617 | 162.5 |
[M]+ | 278.10095 | 158.6 |
[M]- | 278.10205 | 158.6 |
Literature stripe
Patent stripe
No patent data available for this compound.