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]+ 420.152976 198.1
[M+Na]+ 442.134918 203.7
[M-H]- 418.138424 204.4
[M+NH4]+ 437.179523 204.8
[M+K]+ 458.108858 198.4
[M+H-H2O]+ 402.142960 184.8
[M+HCOO]- 464.143901 209.7
[M+CH3COO]- 478.159551 225.5
[M+Na-2H]- 440.120366 196.1
[M]+ 419.14515142 190.1
[M]- 419.14624858 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.