CID 3005230

Nsc684385

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CCC(C1C(=O)NC(=S)N1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C13H16N2O2S/c1-3-10(11-12(16)15-13(18)14-11)8-4-6-9(17-2)7-5-8/h4-7,10-11H,3H2,1-2H3,(H2,14,15,16,18)
InChIKey
TWIPZXCPRZBRFP-UHFFFAOYSA-N
Compound name
5-[1-(4-methoxyphenyl)propyl]-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 160.6
[M+Na]+ 287.08248 168.0
[M-H]- 263.08598 162.2
[M+NH4]+ 282.12708 175.8
[M+K]+ 303.05642 162.5
[M+H-H2O]+ 247.09052 153.8
[M+HCOO]- 309.09146 172.4
[M+CH3COO]- 323.10711 190.4
[M+Na-2H]- 285.06793 157.6
[M]+ 264.09271 159.1
[M]- 264.09381 159.1
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.