PubChemLite - Cp-320626 (C23H23ClFN3O3)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1O)C(=O)[C@H](CC2=CC=C(C=C2)F)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1

InChIKey

YDCGVASFVACWKF-NRFANRHFSA-N

Compound name

5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

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]+	444.14848	201.7
[M+Na]+	466.13042	206.7
[M-H]-	442.13392	205.4
[M+NH4]+	461.17502	209.5
[M+K]+	482.10436	199.0
[M+H-H2O]+	426.13846	191.5
[M+HCOO]-	488.13940	209.7
[M+CH3COO]-	502.15505	208.1
[M+Na-2H]-	464.11587	198.7
[M]+	443.14065	198.9
[M]-	443.14175	198.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.14848

201.7

[M+Na]+

466.13042

206.7

[M-H]-

442.13392

205.4

[M+NH4]+

461.17502

209.5

[M+K]+

482.10436

199.0

[M+H-H2O]+

426.13846

191.5

[M+HCOO]-

488.13940

209.7

[M+CH3COO]-

502.15505

208.1

[M+Na-2H]-

464.11587

198.7

[M]+

443.14065

198.9

[M]-

443.14175

198.9

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

Cp-320626

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe