CID 3005229

Nsc684384

Structural Information

Molecular Formula
C17H16N2OS
SMILES
C1=CC=C(C=C1)CC(C2C(=O)NC(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2OS/c20-16-15(18-17(21)19-16)14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2,(H2,18,19,20,21)
InChIKey
OWGZKWCNJFIOOP-UHFFFAOYSA-N
Compound name
5-(1,2-diphenylethyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09833 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.10561 168.6
[M+Na]+ 319.08755 175.2
[M-H]- 295.09105 173.0
[M+NH4]+ 314.13215 181.8
[M+K]+ 335.06149 167.6
[M+H-H2O]+ 279.09559 160.6
[M+HCOO]- 341.09653 180.6
[M+CH3COO]- 355.11218 178.1
[M+Na-2H]- 317.07300 166.7
[M]+ 296.09778 164.3
[M]- 296.09888 164.3
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.