CID 203319

Pseudourea, 1,3-dicyclohexyl-2-methyl-2-thio-, hydroiodide

Structural Information

Molecular Formula

C₁₄H₂₆N₂S

SMILES

CSC(=NC1CCCCC1)NC2CCCCC2

InChI

InChI=1S/C14H26N2S/c1-17-14(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h12-13H,2-11H2,1H3,(H,15,16)

InChIKey

OKZTVLCZWBMMBV-UHFFFAOYSA-N

Compound name

methyl N,N'-dicyclohexylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 254.18167 Da
Monoisotopic Mass: 4.2
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]+	255.188946	160.5
[M+Na]+	277.170888	160.1
[M-H]-	253.174394	165.8
[M+NH4]+	272.215493	177.2
[M+K]+	293.144828	157.3
[M+H-H2O]+	237.178930	152.5
[M+HCOO]-	299.179871	173.7
[M+CH3COO]-	313.195521	198.3
[M+Na-2H]-	275.156336	160.0
[M]+	254.18112142	152.2
[M]-	254.18221858	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe