PubChemLite - Opc-14117 (C26H35N3O3)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C2=C1CC(C2NC(=O)CN3CCN(CC3)C4=CC(=CC=C4)OC)(C)C)O)C

InChI

InChI=1S/C26H35N3O3/c1-17-13-18(2)24(31)23-21(17)15-26(3,4)25(23)27-22(30)16-28-9-11-29(12-10-28)19-7-6-8-20(14-19)32-5/h6-8,13-14,25,31H,9-12,15-16H2,1-5H3,(H,27,30)

InChIKey

LYAUICDWKQJAGX-UHFFFAOYSA-N

Compound name

N-(7-hydroxy-2,2,4,6-tetramethyl-1,3-dihydroinden-1-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

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]+	438.27513	210.5
[M+Na]+	460.25707	221.8
[M+NH4]+	455.30167	217.8
[M+K]+	476.23101	214.8
[M-H]-	436.26057	215.1
[M+Na-2H]-	458.24252	215.5
[M]+	437.26730	213.4
[M]-	437.26840	213.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.27513

210.5

[M+Na]+

460.25707

221.8

[M+NH4]+

455.30167

217.8

[M+K]+

476.23101

214.8

[M-H]-

436.26057

215.1

[M+Na-2H]-

458.24252

215.5

[M]+

437.26730

213.4

[M]-

437.26840

213.4

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

Opc-14117

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe