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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.10773 152.4
[M+Na]+ 257.08967 163.0
[M+NH4]+ 252.13427 159.2
[M+K]+ 273.06361 159.2
[M-H]- 233.09317 154.7
[M+Na-2H]- 255.07512 157.8
[M]+ 234.09990 154.2
[M]- 234.10100 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.