CID 3033271

Usaf mk-68

Structural Information

Molecular Formula

C₁₄H₁₄N₄S₂

SMILES

C1=CC=NC(=C1)CNC(=S)C(=S)NCC2=CC=CC=N2

InChI

InChI=1S/C14H14N4S2/c19-13(17-9-11-5-1-3-7-15-11)14(20)18-10-12-6-2-4-8-16-12/h1-8H,9-10H2,(H,17,19)(H,18,20)

InChIKey

QFEOJEIUNUYUJQ-UHFFFAOYSA-N

Compound name

N,N'-bis(pyridin-2-ylmethyl)ethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 302.06598 Da
Monoisotopic Mass: 1.4
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]+	303.07326	164.0
[M+Na]+	325.05520	169.9
[M-H]-	301.05870	167.1
[M+NH4]+	320.09980	176.1
[M+K]+	341.02914	162.4
[M+H-H2O]+	285.06324	155.3
[M+HCOO]-	347.06418	175.4
[M+CH3COO]-	361.07983	173.2
[M+Na-2H]-	323.04065	166.7
[M]+	302.06543	162.7
[M]-	302.06653	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe