CID 3070468

Hydantoin, 3-(3-(dimethylamino)propyl)-1-phenyl-2-thio-, hydrochloride

Structural Information

Molecular Formula
C14H19N3OS
SMILES
CN(C)CCCN1C(=O)CN(C1=S)C2=CC=CC=C2
InChI
InChI=1S/C14H19N3OS/c1-15(2)9-6-10-16-13(18)11-17(14(16)19)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3
InChIKey
LLIYQYSXEGXANJ-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.12488 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13216 165.7
[M+Na]+ 300.11410 176.4
[M+NH4]+ 295.15870 173.2
[M+K]+ 316.08804 169.6
[M-H]- 276.11760 168.7
[M+Na-2H]- 298.09955 170.6
[M]+ 277.12433 168.3
[M]- 277.12543 168.3
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.