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 166.4
[M+Na]+ 307.12392 171.2
[M-H]- 283.12742 173.6
[M+NH4]+ 302.16852 182.6
[M+K]+ 323.09786 166.0
[M+H-H2O]+ 267.13196 157.8
[M+HCOO]- 329.13290 187.4
[M+CH3COO]- 343.14855 205.1
[M+Na-2H]- 305.10937 170.2
[M]+ 284.13415 167.6
[M]- 284.13525 167.6
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

patents stripe