CID 3070470

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

Structural Information

Molecular Formula
C9H17N3OS
SMILES
CC1C(=O)N(C(=S)N1)CCCN(C)C
InChI
InChI=1S/C9H17N3OS/c1-7-8(13)12(9(14)10-7)6-4-5-11(2)3/h7H,4-6H2,1-3H3,(H,10,14)
InChIKey
SJBSOVHQRAUNQD-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.10924 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11652 151.8
[M+Na]+ 238.09846 159.8
[M+NH4]+ 233.14306 158.3
[M+K]+ 254.07240 154.8
[M-H]- 214.10196 151.4
[M+Na-2H]- 236.08391 152.8
[M]+ 215.10869 152.8
[M]- 215.10979 152.8
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.