PubChemLite - 116966-97-3 (C27H35N3O3)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C=C1)NC=C2C3=CCN(CC3)CCCCN4C(=O)CC5(CCCC5)CC4=O

InChI

InChI=1S/C27H35N3O3/c1-33-21-6-7-24-22(16-21)23(19-28-24)20-8-14-29(15-9-20)12-4-5-13-30-25(31)17-27(18-26(30)32)10-2-3-11-27/h6-8,16,19,28H,2-5,9-15,17-18H2,1H3

InChIKey

IHKDLQGMVIQDTN-UHFFFAOYSA-N

Compound name

8-[4-[4-(5-methoxy-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]+	450.27513	213.1
[M+Na]+	472.25707	217.2
[M-H]-	448.26057	219.4
[M+NH4]+	467.30167	223.3
[M+K]+	488.23101	209.6
[M+H-H2O]+	432.26511	201.5
[M+HCOO]-	494.26605	223.5
[M+CH3COO]-	508.28170	219.0
[M+Na-2H]-	470.24252	207.1
[M]+	449.26730	208.5
[M]-	449.26840	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.27513

213.1

[M+Na]+

472.25707

217.2

[M-H]-

448.26057

219.4

[M+NH4]+

467.30167

223.3

[M+K]+

488.23101

209.6

[M+H-H2O]+

432.26511

201.5

[M+HCOO]-

494.26605

223.5

[M+CH3COO]-

508.28170

219.0

[M+Na-2H]-

470.24252

207.1

[M]+

449.26730

208.5

[M]-

449.26840

208.5

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

116966-97-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe