CID 3032290

120-88-7

Structural Information

Molecular Formula

C₂₆H₅₂N₂S₂

SMILES

CCCCCCCCCCCCNC(=S)C(=S)NCCCCCCCCCCCC

InChI

InChI=1S/C26H52N2S2/c1-3-5-7-9-11-13-15-17-19-21-23-27-25(29)26(30)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,29)(H,28,30)

InChIKey

MQCQUDOKUAAVFO-UHFFFAOYSA-N

Compound name

N,N'-didodecylethanedithioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 456.35718 Da
Monoisotopic Mass: 11.6
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]+	457.36446	218.4
[M+Na]+	479.34640	221.1
[M+NH4]+	474.39100	223.0
[M+K]+	495.32034	208.6
[M-H]-	455.34990	217.8
[M+Na-2H]-	477.33185	215.9
[M]+	456.35663	219.0
[M]-	456.35773	219.0

Literature stripe

literature stripe

Patent stripe

patents stripe