CID 203826

1,3-dibenzyl-2-methyl-2-thiopseudourea hydroiodide

Structural Information

Molecular Formula

C₁₆H₁₈N₂S

SMILES

CSC(=NCC1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C16H18N2S/c1-19-16(17-12-14-8-4-2-5-9-14)18-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,17,18)

InChIKey

FNOSYEMGBYKGBY-UHFFFAOYSA-N

Compound name

methyl N,N'-dibenzylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 270.11908 Da
Monoisotopic Mass: 3.8
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]+	271.12636	162.6
[M+Na]+	293.10830	175.4
[M+NH4]+	288.15290	172.2
[M+K]+	309.08224	164.3
[M-H]-	269.11180	169.4
[M+Na-2H]-	291.09375	172.7
[M]+	270.11853	166.9
[M]-	270.11963	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe