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 166.7
[M+Na]+ 307.12392 172.3
[M-H]- 283.12742 174.3
[M+NH4]+ 302.16852 183.1
[M+K]+ 323.09786 167.2
[M+H-H2O]+ 267.13196 158.2
[M+HCOO]- 329.13290 187.6
[M+CH3COO]- 343.14855 206.2
[M+Na-2H]- 305.10937 169.7
[M]+ 284.13415 168.3
[M]- 284.13525 168.3
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.