CID 3070459

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

Structural Information

Molecular Formula
C17H25N3OS
SMILES
CCN(CC)CCCN1C(=O)C(NC1=S)CC2=CC=CC=C2
InChI
InChI=1S/C17H25N3OS/c1-3-19(4-2)11-8-12-20-16(21)15(18-17(20)22)13-14-9-6-5-7-10-14/h5-7,9-10,15H,3-4,8,11-13H2,1-2H3,(H,18,22)
InChIKey
GNQFYCOPBJYJRW-UHFFFAOYSA-N
Compound name
5-benzyl-3-[3-(diethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.17184 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17912 177.7
[M+Na]+ 342.16106 183.4
[M-H]- 318.16456 181.2
[M+NH4]+ 337.20566 191.7
[M+K]+ 358.13500 178.1
[M+H-H2O]+ 302.16910 169.2
[M+HCOO]- 364.17004 191.9
[M+CH3COO]- 378.18569 210.1
[M+Na-2H]- 340.14651 174.1
[M]+ 319.17129 179.1
[M]- 319.17239 179.1
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.