CID 3070460

3-(3-(diethylamino)propyl)-5-isopropyl-2-thiohydantoin

Structural Information

Molecular Formula
C13H25N3OS
SMILES
CCN(CC)CCCN1C(=O)C(NC1=S)C(C)C
InChI
InChI=1S/C13H25N3OS/c1-5-15(6-2)8-7-9-16-12(17)11(10(3)4)14-13(16)18/h10-11H,5-9H2,1-4H3,(H,14,18)
InChIKey
IFEBVGPZAQPJKH-UHFFFAOYSA-N
Compound name
3-[3-(diethylamino)propyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.17184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17912 168.6
[M+Na]+ 294.16106 175.4
[M+NH4]+ 289.20566 174.3
[M+K]+ 310.13500 170.4
[M-H]- 270.16456 167.9
[M+Na-2H]- 292.14651 168.4
[M]+ 271.17129 169.3
[M]- 271.17239 169.3
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.