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 178.4
[M+Na]+ 353.14718 184.0
[M-H]- 329.15068 183.7
[M+NH4]+ 348.19178 192.4
[M+K]+ 369.12112 181.0
[M+H-H2O]+ 313.15522 170.0
[M+HCOO]- 375.15616 199.9
[M+CH3COO]- 389.17181 211.5
[M+Na-2H]- 351.13263 177.1
[M]+ 330.15741 181.4
[M]- 330.15851 181.4
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.