CID 410052

1,4-bis(2-imidazolin-2-thio)butane dihydrobromide

Structural Information

Molecular Formula

C₁₀H₁₈N₄S₂

SMILES

C1CN=C(N1)SCCCCSC2=NCCN2

InChI

InChI=1S/C10H18N4S2/c1(7-15-9-11-3-4-12-9)2-8-16-10-13-5-6-14-10/h1-8H2,(H,11,12)(H,13,14)

InChIKey

CVEDHUHKTQSTLD-UHFFFAOYSA-N

Compound name

2-[4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)butylsulfanyl]-4,5-dihydro-1H-imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.0973 Da
Monoisotopic Mass: 0.8
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]+	259.104576	154.0
[M+Na]+	281.086518	161.8
[M-H]-	257.090024	152.8
[M+NH4]+	276.131123	169.2
[M+K]+	297.060458	156.8
[M+H-H2O]+	241.094560	147.0
[M+HCOO]-	303.095501	160.9
[M+CH3COO]-	317.111151	163.6
[M+Na-2H]-	279.071966	150.4
[M]+	258.09675142	152.8
[M]-	258.09784858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.