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]+ 333.15575 179.2
[M+Na]+ 355.13769 184.4
[M-H]- 331.14119 179.2
[M+NH4]+ 350.18229 187.2
[M+K]+ 371.11163 181.1
[M+H-H2O]+ 315.14573 163.9
[M+HCOO]- 377.14667 189.1
[M+CH3COO]- 391.16232 216.1
[M+Na-2H]- 353.12314 175.7
[M]+ 332.14792 170.1
[M]- 332.14902 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.