3-hydroxy-4-(4-methylbenzoyl)-5-(5-methyl-2-furyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one (C23H26N2O5)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(O4)C)/O

InChI

InChI=1S/C23H26N2O5/c1-15-3-6-17(7-4-15)21(26)19-20(18-8-5-16(2)30-18)25(23(28)22(19)27)10-9-24-11-13-29-14-12-24/h3-8,20,26H,9-14H2,1-2H3/b21-19-

InChIKey

XELTUKYKJOYEOE-VZCXRCSSSA-N

Compound name

(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(5-methylfuran-2-yl)-1-(2-morpholin-4-ylethyl)pyrrolidine-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]+	411.191446	199.3
[M+Na]+	433.173388	204.3
[M-H]-	409.176894	209.4
[M+NH4]+	428.217993	206.8
[M+K]+	449.147328	201.3
[M+H-H2O]+	393.181430	190.8
[M+HCOO]-	455.182371	212.0
[M+CH3COO]-	469.198021	222.0
[M+Na-2H]-	431.158836	192.3
[M]+	410.18362142	198.0
[M]-	410.18471858	198.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

411.191446

199.3

[M+Na]+

433.173388

204.3

[M-H]-

409.176894

209.4

[M+NH4]+

428.217993

206.8

[M+K]+

449.147328

201.3

[M+H-H2O]+

393.181430

190.8

[M+HCOO]-

455.182371

212.0

[M+CH3COO]-

469.198021

222.0

[M+Na-2H]-

431.158836

192.3

[M]+

410.18362142

198.0

[M]-

410.18471858

198.0

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

3-hydroxy-4-(4-methylbenzoyl)-5-(5-methyl-2-furyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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