PubChemLite - Schembl29388095 (C20H24N6)

Structural Information

Molecular Formula

SMILES

CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)/C=N/NC(=[N+]4CCCC4)N

InChI

InChI=1S/C20H23N6/c1-24-18(15-26-13-3-2-6-19(24)26)17-9-7-16(8-10-17)14-22-23-20(21)25-11-4-5-12-25/h2-3,6-10,13-15H,4-5,11-12H2,1H3,(H2,21,23)/q+1/p+1/b22-14+

InChIKey

OAMCFDRHMBXRKG-HYARGMPZSA-O

Compound name

N'-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-pyrrolidin-1-ium-1-ylidenemethanediamine

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]+	349.21352	182.9
[M+Na]+	371.19546	187.9
[M-H]-	347.19896	191.3
[M+NH4]+	366.24006	194.8
[M+K]+	387.16940	171.1
[M+H-H2O]+	331.20350	176.9
[M+HCOO]-	393.20444	204.7
[M+CH3COO]-	407.22009	205.9
[M+Na-2H]-	369.18091	189.9
[M]+	348.20569	177.5
[M]-	348.20679	177.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

349.21352

182.9

[M+Na]+

371.19546

187.9

[M-H]-

347.19896

191.3

[M+NH4]+

366.24006

194.8

[M+K]+

387.16940

171.1

[M+H-H2O]+

331.20350

176.9

[M+HCOO]-

393.20444

204.7

[M+CH3COO]-

407.22009

205.9

[M+Na-2H]-

369.18091

189.9

[M]+

348.20569

177.5

[M]-

348.20679

177.5

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

Schembl29388095

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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