CID 3070472

5-benzyl-3-(3-(dimethylamino)propyl)-2-thiohydantoin hydrochloride

Structural Information

Molecular Formula
C15H21N3OS
SMILES
CN(C)CCCN1C(=O)C(NC1=S)CC2=CC=CC=C2
InChI
InChI=1S/C15H21N3OS/c1-17(2)9-6-10-18-14(19)13(16-15(18)20)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H,16,20)
InChIKey
UDYHRLZKDWLCHM-UHFFFAOYSA-N
Compound name
5-benzyl-3-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14053 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.147806 169.2
[M+Na]+ 314.129748 175.8
[M-H]- 290.133254 173.1
[M+NH4]+ 309.174353 184.4
[M+K]+ 330.103688 170.9
[M+H-H2O]+ 274.137790 161.1
[M+HCOO]- 336.138731 184.1
[M+CH3COO]- 350.154381 204.1
[M+Na-2H]- 312.115196 166.5
[M]+ 291.13998142 169.9
[M]- 291.14107858 169.9
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.