CID 2856237

3-{[4-(morpholin-4-yl)phenyl]amino}-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione

Structural Information

Molecular Formula
C21H20F3N3O3
SMILES
C1COCCN1C2=CC=C(C=C2)NC3CC(=O)N(C3=O)C4=CC=CC=C4C(F)(F)F
InChI
InChI=1S/C21H20F3N3O3/c22-21(23,24)16-3-1-2-4-18(16)27-19(28)13-17(20(27)29)25-14-5-7-15(8-6-14)26-9-11-30-12-10-26/h1-8,17,25H,9-13H2
InChIKey
QVURHNHXWQUAMB-UHFFFAOYSA-N
Compound name
3-(4-morpholin-4-ylanilino)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15298 198.1
[M+Na]+ 442.13492 203.7
[M-H]- 418.13842 204.4
[M+NH4]+ 437.17952 204.8
[M+K]+ 458.10886 198.4
[M+H-H2O]+ 402.14296 184.8
[M+HCOO]- 464.14390 209.7
[M+CH3COO]- 478.15955 225.5
[M+Na-2H]- 440.12037 196.1
[M]+ 419.14515 190.1
[M]- 419.14625 190.1
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.