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]+ 299.119036 166.7
[M+Na]+ 321.100978 174.4
[M-H]- 297.104484 174.1
[M+NH4]+ 316.145583 181.8
[M+K]+ 337.074918 169.0
[M+H-H2O]+ 281.109020 156.9
[M+HCOO]- 343.109961 188.8
[M+CH3COO]- 357.125611 204.8
[M+Na-2H]- 319.086426 168.0
[M]+ 298.11121142 163.9
[M]- 298.11230858 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.