CID 3050263

66064-12-8

Structural Information

Molecular Formula
C15H17FN2O3
SMILES
C1COCCN1CN2C(=O)CC(C2=O)C3=CC(=CC=C3)F
InChI
InChI=1S/C15H17FN2O3/c16-12-3-1-2-11(8-12)13-9-14(19)18(15(13)20)10-17-4-6-21-7-5-17/h1-3,8,13H,4-7,9-10H2
InChIKey
UINWTYFMQZEULO-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1223 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12958 166.6
[M+Na]+ 315.11152 173.0
[M-H]- 291.11502 172.4
[M+NH4]+ 310.15612 179.3
[M+K]+ 331.08546 170.0
[M+H-H2O]+ 275.11956 156.5
[M+HCOO]- 337.12050 181.8
[M+CH3COO]- 351.13615 200.0
[M+Na-2H]- 313.09697 165.8
[M]+ 292.12175 162.0
[M]- 292.12285 162.0
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.