CID 748195

63384-03-2

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

COC1=CC=C(C=C1)NCN2C(=O)CCC2=O

InChI

InChI=1S/C12H14N2O3/c1-17-10-4-2-9(3-5-10)13-8-14-11(15)6-7-12(14)16/h2-5,13H,6-8H2,1H3

InChIKey

RHQCCEHGFGFOFZ-UHFFFAOYSA-N

Compound name

1-[(4-methoxyanilino)methyl]pyrrolidine-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 234.10045 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.10773	149.9
[M+Na]+	257.08967	157.4
[M-H]-	233.09317	155.5
[M+NH4]+	252.13427	167.9
[M+K]+	273.06361	154.8
[M+H-H2O]+	217.09771	142.3
[M+HCOO]-	279.09865	173.6
[M+CH3COO]-	293.11430	192.1
[M+Na-2H]-	255.07512	153.0
[M]+	234.09990	150.0
[M]-	234.10100	150.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.