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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 167.0
[M+Na]+ 307.12392 179.5
[M+NH4]+ 302.16852 176.5
[M+K]+ 323.09786 168.3
[M-H]- 283.12742 173.7
[M+Na-2H]- 305.10937 176.9
[M]+ 284.13415 171.2
[M]- 284.13525 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.