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 166.8
[M+Na]+ 294.16106 172.4
[M-H]- 270.16456 167.3
[M+NH4]+ 289.20566 183.0
[M+K]+ 310.13500 169.3
[M+H-H2O]+ 254.16910 159.6
[M+HCOO]- 316.17004 179.4
[M+CH3COO]- 330.18569 203.5
[M+Na-2H]- 292.14651 161.6
[M]+ 271.17129 168.5
[M]- 271.17239 168.5
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.