PubChemLite - Gtpl8529 (C25H30ClN3O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCN1CC(C2=C1C=C(C=C2)Cl)C(=O)N3CCC4(CC3)C5=CC=CC=C5CO4

InChI

InChI=1S/C25H30ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15,21H,9-14,16-17H2,1-2H3

InChIKey

DRMVDBATNZBNEB-UHFFFAOYSA-N

Compound name

[6-chloro-1-[2-(dimethylamino)ethyl]-2,3-dihydroindol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

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]+	440.20995	209.7
[M+Na]+	462.19189	215.2
[M-H]-	438.19539	218.2
[M+NH4]+	457.23649	223.6
[M+K]+	478.16583	209.8
[M+H-H2O]+	422.19993	199.8
[M+HCOO]-	484.20087	218.1
[M+CH3COO]-	498.21652	217.4
[M+Na-2H]-	460.17734	205.9
[M]+	439.20212	210.1
[M]-	439.20322	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.20995

209.7

[M+Na]+

462.19189

215.2

[M-H]-

438.19539

218.2

[M+NH4]+

457.23649

223.6

[M+K]+

478.16583

209.8

[M+H-H2O]+

422.19993

199.8

[M+HCOO]-

484.20087

218.1

[M+CH3COO]-

498.21652

217.4

[M+Na-2H]-

460.17734

205.9

[M]+

439.20212

210.1

[M]-

439.20322

210.1

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

Gtpl8529

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe