CID 2855936

1-benzyl-3-[(4-fluorophenyl)amino]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
C1C(C(=O)N(C1=O)CC2=CC=CC=C2)NC3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O2/c18-13-6-8-14(9-7-13)19-15-10-16(21)20(17(15)22)11-12-4-2-1-3-5-12/h1-9,15,19H,10-11H2
InChIKey
GZPWHNNGZRRZSH-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4-fluoroanilino)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

298.11176 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11904 166.7
[M+Na]+ 321.10098 174.4
[M-H]- 297.10448 174.1
[M+NH4]+ 316.14558 181.8
[M+K]+ 337.07492 169.0
[M+H-H2O]+ 281.10902 156.9
[M+HCOO]- 343.10996 188.8
[M+CH3COO]- 357.12561 204.8
[M+Na-2H]- 319.08643 168.0
[M]+ 298.11121 163.9
[M]- 298.11231 163.9
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.