CID 3005228

Nsc684383

Structural Information

Molecular Formula
C12H14N2OS
SMILES
CCC(C1C(=O)NC(=S)N1)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2OS/c1-2-9(8-6-4-3-5-7-8)10-11(15)14-12(16)13-10/h3-7,9-10H,2H2,1H3,(H2,13,14,15,16)
InChIKey
HMQRFVHGTRYMMC-UHFFFAOYSA-N
Compound name
5-(1-phenylpropyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.08269 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08997 153.2
[M+Na]+ 257.07191 160.5
[M-H]- 233.07541 154.7
[M+NH4]+ 252.11651 169.4
[M+K]+ 273.04585 154.7
[M+H-H2O]+ 217.07995 146.5
[M+HCOO]- 279.08089 165.2
[M+CH3COO]- 293.09654 184.1
[M+Na-2H]- 255.05736 151.2
[M]+ 234.08214 149.6
[M]- 234.08324 149.6
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.