CID 5769064

Bas 06261387

Structural Information

Molecular Formula
C24H26FN3O4
SMILES
CC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=NC=C4)/O)F
InChI
InChI=1S/C24H26FN3O4/c1-16-3-4-18(15-19(16)25)22(29)20-21(17-5-7-26-8-6-17)28(24(31)23(20)30)10-2-9-27-11-13-32-14-12-27/h3-8,15,21,29H,2,9-14H2,1H3/b22-20-
InChIKey
KXNBDQFETHFPLT-XDOYNYLZSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.19073 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.19801 210.8
[M+Na]+ 462.17995 221.8
[M+NH4]+ 457.22455 214.3
[M+K]+ 478.15389 217.6
[M-H]- 438.18345 214.4
[M+Na-2H]- 460.16540 214.2
[M]+ 439.19018 212.9
[M]- 439.19128 212.9
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.