PubChemLite - 618073-88-4 (C24H26FN3O4)

Structural Information

Molecular Formula

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-LSDHQDQOSA-N

Compound name

(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-4-ylpyrrolidine-2,3-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	440.19801	208.2
[M+Na]+	462.17995	212.9
[M-H]-	438.18345	214.2
[M+NH4]+	457.22455	212.2
[M+K]+	478.15389	207.0
[M+H-H2O]+	422.18799	195.5
[M+HCOO]-	484.18893	217.8
[M+CH3COO]-	498.20458	227.7
[M+Na-2H]-	460.16540	201.7
[M]+	439.19018	203.5
[M]-	439.19128	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.19801

208.2

[M+Na]+

462.17995

212.9

[M-H]-

438.18345

214.2

[M+NH4]+

457.22455

212.2

[M+K]+

478.15389

207.0

[M+H-H2O]+

422.18799

195.5

[M+HCOO]-

484.18893

217.8

[M+CH3COO]-

498.20458

227.7

[M+Na-2H]-

460.16540

201.7

[M]+

439.19018

203.5

[M]-

439.19128

203.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

618073-88-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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