CID 71548479

Dithiodiethyl bis-salicylamide

Structural Information

Molecular Formula

C₁₈H₂₀N₂O₄S₂

SMILES

C1=CC=C(C(=C1)C(=O)NCCSSCCNC(=O)C2=CC=CC=C2O)O

InChI

InChI=1S/C18H20N2O4S2/c21-15-7-3-1-5-13(15)17(23)19-9-11-25-26-12-10-20-18(24)14-6-2-4-8-16(14)22/h1-8,21-22H,9-12H2,(H,19,23)(H,20,24)

InChIKey

IECQFLVYAHCLIZ-UHFFFAOYSA-N

Compound name

2-hydroxy-N-[2-[2-[(2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]benzamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 392.08646 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

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]+	393.093736	186.2
[M+Na]+	415.075678	189.2
[M-H]-	391.079184	188.5
[M+NH4]+	410.120283	195.5
[M+K]+	431.049618	182.1
[M+H-H2O]+	375.083720	177.8
[M+HCOO]-	437.084661	196.3
[M+CH3COO]-	451.100311	216.6
[M+Na-2H]-	413.061126	186.0
[M]+	392.08591142	187.9
[M]-	392.08700858	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe