PubChemLite - Chembl194768 (C26H28ClN3O2)

Structural Information

Molecular Formula

SMILES

CC(CCN1CCN(C1=O)C2=CC=NC=C2)CCOC3=CC=C(C=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H28ClN3O2/c1-20(12-16-29-17-18-30(26(29)31)24-10-14-28-15-11-24)13-19-32-25-8-4-22(5-9-25)21-2-6-23(27)7-3-21/h2-11,14-15,20H,12-13,16-19H2,1H3

InChIKey

MKZAASYEYXYPHA-UHFFFAOYSA-N

Compound name

1-[5-[4-(4-chlorophenyl)phenoxy]-3-methylpentyl]-3-pyridin-4-ylimidazolidin-2-one

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]+	450.19428	211.1
[M+Na]+	472.17622	216.5
[M-H]-	448.17972	218.6
[M+NH4]+	467.22082	217.4
[M+K]+	488.15016	208.4
[M+H-H2O]+	432.18426	197.8
[M+HCOO]-	494.18520	222.3
[M+CH3COO]-	508.20085	218.0
[M+Na-2H]-	470.16167	207.8
[M]+	449.18645	213.3
[M]-	449.18755	213.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.19428

211.1

[M+Na]+

472.17622

216.5

[M-H]-

448.17972

218.6

[M+NH4]+

467.22082

217.4

[M+K]+

488.15016

208.4

[M+H-H2O]+

432.18426

197.8

[M+HCOO]-

494.18520

222.3

[M+CH3COO]-

508.20085

218.0

[M+Na-2H]-

470.16167

207.8

[M]+

449.18645

213.3

[M]-

449.18755

213.3

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

Chembl194768

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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