PubChemLite - 116966-95-1 (C26H32ClN3O2)

Structural Information

Molecular Formula

SMILES

C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCC(=CC3)C4=CNC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C26H32ClN3O2/c27-20-5-6-23-21(15-20)22(18-28-23)19-7-13-29(14-8-19)11-3-4-12-30-24(31)16-26(17-25(30)32)9-1-2-10-26/h5-7,15,18,28H,1-4,8-14,16-17H2

InChIKey

RATCJAXZHMKZJJ-UHFFFAOYSA-N

Compound name

8-[4-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione

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]+	454.22558	214.6
[M+Na]+	476.20752	220.2
[M-H]-	452.21102	220.7
[M+NH4]+	471.25212	225.6
[M+K]+	492.18146	210.7
[M+H-H2O]+	436.21556	203.0
[M+HCOO]-	498.21650	220.6
[M+CH3COO]-	512.23215	220.6
[M+Na-2H]-	474.19297	208.1
[M]+	453.21775	210.5
[M]-	453.21885	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.22558

214.6

[M+Na]+

476.20752

220.2

[M-H]-

452.21102

220.7

[M+NH4]+

471.25212

225.6

[M+K]+

492.18146

210.7

[M+H-H2O]+

436.21556

203.0

[M+HCOO]-

498.21650

220.6

[M+CH3COO]-

512.23215

220.6

[M+Na-2H]-

474.19297

208.1

[M]+

453.21775

210.5

[M]-

453.21885

210.5

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

116966-95-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe