PubChemLite - Way-100635 (C25H34N4O2)

Structural Information

Molecular Formula

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCCCC4

InChI

InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3

InChIKey

SBPRIAGPYFYCRT-UHFFFAOYSA-N

Compound name

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexanecarboxamide

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]+	423.27548	206.1
[M+Na]+	445.25742	217.7
[M+NH4]+	440.30202	212.4
[M+K]+	461.23136	209.7
[M-H]-	421.26092	212.9
[M+Na-2H]-	443.24287	214.6
[M]+	422.26765	209.4
[M]-	422.26875	209.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.27548

206.1

[M+Na]+

445.25742

217.7

[M+NH4]+

440.30202

212.4

[M+K]+

461.23136

209.7

[M-H]-

421.26092

212.9

[M+Na-2H]-

443.24287

214.6

[M]+

422.26765

209.4

[M]-

422.26875

209.4

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

Way-100635

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe