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]+ 235.107726 149.9
[M+Na]+ 257.089668 157.4
[M-H]- 233.093174 155.5
[M+NH4]+ 252.134273 167.9
[M+K]+ 273.063608 154.8
[M+H-H2O]+ 217.097710 142.3
[M+HCOO]- 279.098651 173.6
[M+CH3COO]- 293.114301 192.1
[M+Na-2H]- 255.075116 153.0
[M]+ 234.09990142 150.0
[M]- 234.10099858 150.0
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.