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]+ 292.14781 169.2
[M+Na]+ 314.12975 175.8
[M-H]- 290.13325 173.1
[M+NH4]+ 309.17435 184.4
[M+K]+ 330.10369 170.9
[M+H-H2O]+ 274.13779 161.1
[M+HCOO]- 336.13873 184.1
[M+CH3COO]- 350.15438 204.1
[M+Na-2H]- 312.11520 166.5
[M]+ 291.13998 169.9
[M]- 291.14108 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.