CID 135959530

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

Structural Information

Molecular Formula
C16H20N4O4
SMILES
CCOC(=O)C1=C(NC(=C1O)/C=C(/C#N)\C(=N)N2CCOCC2)C
InChI
InChI=1S/C16H20N4O4/c1-3-24-16(22)13-10(2)19-12(14(13)21)8-11(9-17)15(18)20-4-6-23-7-5-20/h8,18-19,21H,3-7H2,1-2H3/b11-8-,18-15?
InChIKey
WZFQETPSIXMZHM-CQWRCJHRSA-N
Compound name
ethyl 5-[(Z)-2-cyano-3-imino-3-morpholin-4-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

332.14847 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.155746 179.2
[M+Na]+ 355.137688 184.4
[M-H]- 331.141194 179.2
[M+NH4]+ 350.182293 187.2
[M+K]+ 371.111628 181.1
[M+H-H2O]+ 315.145730 163.9
[M+HCOO]- 377.146671 189.1
[M+CH3COO]- 391.162321 216.1
[M+Na-2H]- 353.123136 175.7
[M]+ 332.14792142 170.1
[M]- 332.14901858 170.1
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.