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 149.3
[M+Na]+ 238.09846 157.0
[M-H]- 214.10196 150.4
[M+NH4]+ 233.14306 167.9
[M+K]+ 254.07240 154.4
[M+H-H2O]+ 198.10650 142.7
[M+HCOO]- 260.10744 164.3
[M+CH3COO]- 274.12309 190.7
[M+Na-2H]- 236.08391 147.0
[M]+ 215.10869 150.2
[M]- 215.10979 150.2
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.