PubChemLite - 93845-65-9 (C34H36N4O2)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C2=C[N+]3=CC=CC=C3N2CCCCCCN4C5=CC=CC=[N+]5C=C4C6=CC=C(C=C6)OC

InChI

InChI=1S/C34H36N4O2/c1-39-29-17-13-27(14-18-29)31-25-35-21-9-5-11-33(35)37(31)23-7-3-4-8-24-38-32(26-36-22-10-6-12-34(36)38)28-15-19-30(40-2)20-16-28/h5-6,9-22,25-26H,3-4,7-8,23-24H2,1-2H3/q+2

InChIKey

GZNYAOYTYYALAH-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-1-[6-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-4-ium-1-yl]hexyl]imidazo[1,2-a]pyridin-4-ium

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]+	533.29108	246.7
[M+Na]+	555.27302	253.3
[M-H]-	531.27652	256.8
[M+NH4]+	550.31762	250.4
[M+K]+	571.24696	233.6
[M+H-H2O]+	515.28106	236.6
[M+HCOO]-	577.28200	262.5
[M+CH3COO]-	591.29765	235.8
[M+Na-2H]-	553.25847	249.0
[M]+	532.28325	251.8
[M]-	532.28435	251.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

533.29108

246.7

[M+Na]+

555.27302

253.3

[M-H]-

531.27652

256.8

[M+NH4]+

550.31762

250.4

[M+K]+

571.24696

233.6

[M+H-H2O]+

515.28106

236.6

[M+HCOO]-

577.28200

262.5

[M+CH3COO]-

591.29765

235.8

[M+Na-2H]-

553.25847

249.0

[M]+

532.28325

251.8

[M]-

532.28435

251.8

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

93845-65-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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