CID 135744230

Ethyl 2,4-dioxo-3-(((1-methyl-2-phenylethyl)amino)methylene)-1-pyrrolidineacetate

Structural Information

Molecular Formula
C18H22N2O4
SMILES
CCOC(=O)CN1CC(=C(C1=O)C=NC(C)CC2=CC=CC=C2)O
InChI
InChI=1S/C18H22N2O4/c1-3-24-17(22)12-20-11-16(21)15(18(20)23)10-19-13(2)9-14-7-5-4-6-8-14/h4-8,10,13,21H,3,9,11-12H2,1-2H3
InChIKey
VQECQKVMQPZBEK-UHFFFAOYSA-N
Compound name
ethyl 2-[3-hydroxy-5-oxo-4-(1-phenylpropan-2-yliminomethyl)-2H-pyrrol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.15796 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.16524 179.5
[M+Na]+ 353.14718 188.7
[M+NH4]+ 348.19178 184.3
[M+K]+ 369.12112 185.4
[M-H]- 329.15068 180.7
[M+Na-2H]- 351.13263 183.1
[M]+ 330.15741 180.7
[M]- 330.15851 180.7
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.