CID 43637721

3-[(3-methoxyphenyl)amino]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C11H12N2O3
SMILES
COC1=CC=CC(=C1)NC2CC(=O)NC2=O
InChI
InChI=1S/C11H12N2O3/c1-16-8-4-2-3-7(5-8)12-9-6-10(14)13-11(9)15/h2-5,9,12H,6H2,1H3,(H,13,14,15)
InChIKey
DHYQKQNALHEFGK-UHFFFAOYSA-N
Compound name
3-(3-methoxyanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 145.9
[M+Na]+ 243.07402 153.4
[M-H]- 219.07752 150.3
[M+NH4]+ 238.11862 163.7
[M+K]+ 259.04796 150.2
[M+H-H2O]+ 203.08206 138.8
[M+HCOO]- 265.08300 168.4
[M+CH3COO]- 279.09865 186.6
[M+Na-2H]- 241.05947 149.1
[M]+ 220.08425 143.8
[M]- 220.08535 143.8
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.