CID 203824

Pseudourea, 2-benzyl-1-methyl-3-(2-methylbenzyl)-2-thio-, hydrochloride

Structural Information

Molecular Formula
C17H20N2S
SMILES
CC1=CC=CC=C1CNC(=NC)SCC2=CC=CC=C2
InChI
InChI=1S/C17H20N2S/c1-14-8-6-7-11-16(14)12-19-17(18-2)20-13-15-9-4-3-5-10-15/h3-11H,12-13H2,1-2H3,(H,18,19)
InChIKey
ALOUFHVLCQHLPT-UHFFFAOYSA-N
Compound name
benzyl N'-methyl-N-[(2-methylphenyl)methyl]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1347 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14198 167.2
[M+Na]+ 307.12392 180.1
[M+NH4]+ 302.16852 176.7
[M+K]+ 323.09786 169.0
[M-H]- 283.12742 174.0
[M+Na-2H]- 305.10937 176.9
[M]+ 284.13415 171.5
[M]- 284.13525 171.5
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.