CID 135403708

1-ethoxycarbonylmethyl-3-benzylaminomethylenepyrrolidine-2,4-dione

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CCOC(=O)CN1CC(=C(C1=O)C=NCC2=CC=CC=C2)O
InChI
InChI=1S/C16H18N2O4/c1-2-22-15(20)11-18-10-14(19)13(16(18)21)9-17-8-12-6-4-3-5-7-12/h3-7,9,19H,2,8,10-11H2,1H3
InChIKey
KJNAVCCBWLYQKE-UHFFFAOYSA-N
Compound name
ethyl 2-[4-(benzyliminomethyl)-3-hydroxy-5-oxo-2H-pyrrol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 171.2
[M+Na]+ 325.11587 181.2
[M+NH4]+ 320.16047 176.5
[M+K]+ 341.08981 177.5
[M-H]- 301.11937 172.6
[M+Na-2H]- 323.10132 175.6
[M]+ 302.12610 172.5
[M]- 302.12720 172.5
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.