PubChemLite - 2,2'-dithiobis(n-(quinoline-8-yl)benzamide) (C32H22N4O2S2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=C2N=CC=C3)SSC4=CC=CC=C4C(=O)NC5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C32H22N4O2S2/c37-31(35-25-15-5-9-21-11-7-19-33-29(21)25)23-13-1-3-17-27(23)39-40-28-18-4-2-14-24(28)32(38)36-26-16-6-10-22-12-8-20-34-30(22)26/h1-20H,(H,35,37)(H,36,38)

InChIKey

CZECXONVHHTBFG-UHFFFAOYSA-N

Compound name

N-quinolin-8-yl-2-[[2-(quinolin-8-ylcarbamoyl)phenyl]disulfanyl]benzamide

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]+	559.12568	222.4
[M+Na]+	581.10762	228.8
[M-H]-	557.11112	231.9
[M+NH4]+	576.15222	224.9
[M+K]+	597.08156	218.8
[M+H-H2O]+	541.11566	210.7
[M+HCOO]-	603.11660	231.9
[M+CH3COO]-	617.13225	227.8
[M+Na-2H]-	579.09307	229.4
[M]+	558.11785	224.9
[M]-	558.11895	224.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

559.12568

222.4

[M+Na]+

581.10762

228.8

[M-H]-

557.11112

231.9

[M+NH4]+

576.15222

224.9

[M+K]+

597.08156

218.8

[M+H-H2O]+

541.11566

210.7

[M+HCOO]-

603.11660

231.9

[M+CH3COO]-

617.13225

227.8

[M+Na-2H]-

579.09307

229.4

[M]+

558.11785

224.9

[M]-

558.11895

224.9

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

2,2'-dithiobis(n-(quinoline-8-yl)benzamide)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe