CID 3860937

3-[2-(3,4-dimethoxyphenyl)ethyl]-5-(propan-2-yl)-2-sulfanylideneimidazolidin-4-one

Structural Information

Molecular Formula
C16H22N2O3S
SMILES
CC(C)C1C(=O)N(C(=S)N1)CCC2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C16H22N2O3S/c1-10(2)14-15(19)18(16(22)17-14)8-7-11-5-6-12(20-3)13(9-11)21-4/h5-6,9-10,14H,7-8H2,1-4H3,(H,17,22)
InChIKey
INKQEGZHZRPTOF-UHFFFAOYSA-N
Compound name
3-[2-(3,4-dimethoxyphenyl)ethyl]-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.1351 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14238 175.6
[M+Na]+ 345.12432 183.6
[M-H]- 321.12782 178.8
[M+NH4]+ 340.16892 189.6
[M+K]+ 361.09826 178.9
[M+H-H2O]+ 305.13236 168.5
[M+HCOO]- 367.13330 188.0
[M+CH3COO]- 381.14895 206.4
[M+Na-2H]- 343.10977 170.5
[M]+ 322.13455 179.2
[M]- 322.13565 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.