PubChemLite - 1,3-bis[2-(2,2'-bipyridine-6-yl)-1,3,4-oxadiazo-5-yl]benzene (C30H18N8O2)

Structural Information

Molecular Formula

SMILES

C1=CC=NC(=C1)C2=NC(=CC=C2)C3=NN=C(O3)C4=CC(=CC=C4)C5=NN=C(O5)C6=CC=CC(=N6)C7=CC=CC=N7

InChI

InChI=1S/C30H18N8O2/c1-3-16-31-21(10-1)23-12-6-14-25(33-23)29-37-35-27(39-29)19-8-5-9-20(18-19)28-36-38-30(40-28)26-15-7-13-24(34-26)22-11-2-4-17-32-22/h1-18H

InChIKey

WXDXMXYEAGYOKI-UHFFFAOYSA-N

Compound name

2-(6-pyridin-2-ylpyridin-2-yl)-5-[3-[5-(6-pyridin-2-ylpyridin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole

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]+	523.16258	217.4
[M+Na]+	545.14452	227.3
[M-H]-	521.14802	230.8
[M+NH4]+	540.18912	211.3
[M+K]+	561.11846	218.1
[M+H-H2O]+	505.15256	201.2
[M+HCOO]-	567.15350	230.4
[M+CH3COO]-	581.16915	223.5
[M+Na-2H]-	543.12997	217.3
[M]+	522.15475	219.3
[M]-	522.15585	219.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.16258

217.4

[M+Na]+

545.14452

227.3

[M-H]-

521.14802

230.8

[M+NH4]+

540.18912

211.3

[M+K]+

561.11846

218.1

[M+H-H2O]+

505.15256

201.2

[M+HCOO]-

567.15350

230.4

[M+CH3COO]-

581.16915

223.5

[M+Na-2H]-

543.12997

217.3

[M]+

522.15475

219.3

[M]-

522.15585

219.3

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

1,3-bis[2-(2,2'-bipyridine-6-yl)-1,3,4-oxadiazo-5-yl]benzene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe