PubChemLite - 93835-64-4 (C32H36N4O2)

Structural Information

Molecular Formula

SMILES

C1C(N(C2=CC=CC=[N+]21)CCCCCCN3C4=CC=CC=[N+]4CC3(C5=CC=CC=C5)O)(C6=CC=CC=C6)O

InChI

InChI=1S/C32H36N4O2/c37-31(27-15-5-3-6-16-27)25-33-21-13-9-19-29(33)35(31)23-11-1-2-12-24-36-30-20-10-14-22-34(30)26-32(36,38)28-17-7-4-8-18-28/h3-10,13-22,37-38H,1-2,11-12,23-26H2/q+2

InChIKey

HVTNCBWPBHGIJT-UHFFFAOYSA-N

Compound name

1-[6-(2-hydroxy-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-1-yl)hexyl]-2-phenyl-3H-imidazo[1,2-a]pyridin-4-ium-2-ol

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]+	509.29108	233.4
[M+Na]+	531.27302	237.5
[M-H]-	507.27652	240.1
[M+NH4]+	526.31762	240.2
[M+K]+	547.24696	217.8
[M+H-H2O]+	491.28106	223.4
[M+HCOO]-	553.28200	242.8
[M+CH3COO]-	567.29765	224.0
[M+Na-2H]-	529.25847	236.5
[M]+	508.28325	230.0
[M]-	508.28435	230.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.29108

233.4

[M+Na]+

531.27302

237.5

[M-H]-

507.27652

240.1

[M+NH4]+

526.31762

240.2

[M+K]+

547.24696

217.8

[M+H-H2O]+

491.28106

223.4

[M+HCOO]-

553.28200

242.8

[M+CH3COO]-

567.29765

224.0

[M+Na-2H]-

529.25847

236.5

[M]+

508.28325

230.0

[M]-

508.28435

230.0

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

93835-64-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe