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]+ 285.141976 166.7
[M+Na]+ 307.123918 172.3
[M-H]- 283.127424 174.3
[M+NH4]+ 302.168523 183.1
[M+K]+ 323.097858 167.2
[M+H-H2O]+ 267.131960 158.2
[M+HCOO]- 329.132901 187.6
[M+CH3COO]- 343.148551 206.2
[M+Na-2H]- 305.109366 169.7
[M]+ 284.13415142 168.3
[M]- 284.13524858 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.