CID 135959531

2-methyl-3-ethoxycarbonyl-5-(2-cyano-3-amino-3-piperidinoprop-2-enylidene)-2-pyrrolin-4-one

Structural Information

Molecular Formula
C17H22N4O3
SMILES
CCOC(=O)C1=C(NC(=C1O)/C=C(/C#N)\C(=N)N2CCCCC2)C
InChI
InChI=1S/C17H22N4O3/c1-3-24-17(23)14-11(2)20-13(15(14)22)9-12(10-18)16(19)21-7-5-4-6-8-21/h9,19-20,22H,3-8H2,1-2H3/b12-9-,19-16?
InChIKey
HTXYHIFIIMXPPI-KXKVSBCVSA-N
Compound name
ethyl 5-[(Z)-2-cyano-3-imino-3-piperidin-1-ylprop-1-enyl]-4-hydroxy-2-methyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1692 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17648 180.1
[M+Na]+ 353.15842 186.3
[M+NH4]+ 348.20302 180.4
[M+K]+ 369.13236 181.3
[M-H]- 329.16192 171.9
[M+Na-2H]- 351.14387 178.3
[M]+ 330.16865 177.1
[M]- 330.16975 177.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.