CID 3070476

3-(3-(dimethylamino)propyl)-5-(2-(methylthio)ethyl)-2-thiohydantoin hydrochloride

Structural Information

Molecular Formula
C11H21N3OS2
SMILES
CN(C)CCCN1C(=O)C(NC1=S)CCSC
InChI
InChI=1S/C11H21N3OS2/c1-13(2)6-4-7-14-10(15)9(5-8-17-3)12-11(14)16/h9H,4-8H2,1-3H3,(H,12,16)
InChIKey
BCMSZGJCARBJBC-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-5-(2-methylsulfanylethyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1126 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11988 161.8
[M+Na]+ 298.10182 168.6
[M-H]- 274.10532 162.2
[M+NH4]+ 293.14642 178.1
[M+K]+ 314.07576 164.0
[M+H-H2O]+ 258.10986 155.1
[M+HCOO]- 320.11080 170.4
[M+CH3COO]- 334.12645 201.2
[M+Na-2H]- 296.08727 156.8
[M]+ 275.11205 164.2
[M]- 275.11315 164.2
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.