CID 203315

Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide

Structural Information

Molecular Formula

C₁₇H₂₀N₂S

SMILES

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

InChI

InChI=1S/C17H20N2S/c1-2-20-17(18-13-15-9-5-3-6-10-15)19-14-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,18,19)

InChIKey

QGBKCTQDIWBVLE-UHFFFAOYSA-N

Compound name

ethyl N,N'-dibenzylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.1347 Da
Monoisotopic Mass: 4.1
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]+	285.141976	166.4
[M+Na]+	307.123918	171.2
[M-H]-	283.127424	173.6
[M+NH4]+	302.168523	182.6
[M+K]+	323.097858	166.0
[M+H-H2O]+	267.131960	157.8
[M+HCOO]-	329.132901	187.4
[M+CH3COO]-	343.148551	205.1
[M+Na-2H]-	305.109366	170.2
[M]+	284.13415142	167.6
[M]-	284.13524858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe