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 164.7
[M+Na]+ 300.11410 172.3
[M-H]- 276.11760 170.2
[M+NH4]+ 295.15870 181.2
[M+K]+ 316.08804 168.5
[M+H-H2O]+ 260.12214 156.5
[M+HCOO]- 322.12308 181.4
[M+CH3COO]- 336.13873 203.7
[M+Na-2H]- 298.09955 162.9
[M]+ 277.12433 166.9
[M]- 277.12543 166.9
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.