CID 3070484

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

Structural Information

Molecular Formula
C11H21N3OS
SMILES
CCN(CC)CCCN1C(=O)C(NC1=S)C
InChI
InChI=1S/C11H21N3OS/c1-4-13(5-2)7-6-8-14-10(15)9(3)12-11(14)16/h9H,4-8H2,1-3H3,(H,12,16)
InChIKey
SHOCDBMFXOUWIG-UHFFFAOYSA-N
Compound name
3-[3-(diethylamino)propyl]-5-methyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.14053 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14781 157.9
[M+Na]+ 266.12975 164.8
[M-H]- 242.13325 158.7
[M+NH4]+ 261.17435 175.4
[M+K]+ 282.10369 161.6
[M+H-H2O]+ 226.13779 151.0
[M+HCOO]- 288.13873 172.3
[M+CH3COO]- 302.15438 196.7
[M+Na-2H]- 264.11520 154.7
[M]+ 243.13998 159.5
[M]- 243.14108 159.5
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.