CID 6298463

381702-42-7

Structural Information

Molecular Formula
C24H25FN2O4
SMILES
C1COCCN1CCCN2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H25FN2O4/c25-19-9-7-18(8-10-19)22(28)20-21(17-5-2-1-3-6-17)27(24(30)23(20)29)12-4-11-26-13-15-31-16-14-26/h1-3,5-10,21,28H,4,11-16H2/b22-20+
InChIKey
IFIJFRGNLFUGPP-LSDHQDQOSA-N
Compound name
(4E)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.17984 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18712 203.2
[M+Na]+ 447.16906 207.0
[M-H]- 423.17256 210.2
[M+NH4]+ 442.21366 209.0
[M+K]+ 463.14300 201.4
[M+H-H2O]+ 407.17710 191.2
[M+HCOO]- 469.17804 214.3
[M+CH3COO]- 483.19369 223.7
[M+Na-2H]- 445.15451 197.6
[M]+ 424.17929 197.6
[M]- 424.18039 197.6
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.