PubChemLite - 1231763-32-8 (C20H25N3O)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)N

InChI

InChI=1S/C20H25N3O/c1-3-13-12-23-9-7-14(13)10-19(23)20(21)16-6-8-22-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20H,1,7,9-10,12,21H2,2H3/t13-,14-,19-,20-/m0/s1

InChIKey

RIEKOKLABHBCGI-FEBSWUBLSA-N

Compound name

(S)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanamine

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]+	324.20705	175.3
[M+Na]+	346.18899	187.3
[M+NH4]+	341.23359	185.2
[M+K]+	362.16293	178.6
[M-H]-	322.19249	176.2
[M+Na-2H]-	344.17444	174.4
[M]+	323.19922	177.2
[M]-	323.20032	177.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

324.20705

175.3

[M+Na]+

346.18899

187.3

[M+NH4]+

341.23359

185.2

[M+K]+

362.16293

178.6

[M-H]-

322.19249

176.2

[M+Na-2H]-

344.17444

174.4

[M]+

323.19922

177.2

[M]-

323.20032

177.2

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

1231763-32-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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