CID 4550118

296274-64-1

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CCC1=CC=C(C=C1)NCN2C(=O)CCC2=O
InChI
InChI=1S/C13H16N2O2/c1-2-10-3-5-11(6-4-10)14-9-15-12(16)7-8-13(15)17/h3-6,14H,2,7-9H2,1H3
InChIKey
JSDUITQKDZCWDK-UHFFFAOYSA-N
Compound name
1-[(4-ethylanilino)methyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.128466 151.7
[M+Na]+ 255.110408 159.0
[M-H]- 231.113914 157.2
[M+NH4]+ 250.155013 169.9
[M+K]+ 271.084348 155.6
[M+H-H2O]+ 215.118450 144.2
[M+HCOO]- 277.119391 174.9
[M+CH3COO]- 291.135041 193.0
[M+Na-2H]- 253.095856 154.2
[M]+ 232.12064142 150.8
[M]- 232.12173858 150.8
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.