CID 3070457

86503-13-1

Structural Information

Molecular Formula
C12H23N3OS
SMILES
CC(C)CC1C(=O)N(C(=S)N1)CCCN(C)C
InChI
InChI=1S/C12H23N3OS/c1-9(2)8-10-11(16)15(12(17)13-10)7-5-6-14(3)4/h9-10H,5-8H2,1-4H3,(H,13,17)
InChIKey
MOYHQXSNWRSCJW-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1562 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.16348 164.4
[M+Na]+ 280.14542 171.4
[M+NH4]+ 275.19002 170.3
[M+K]+ 296.11936 166.6
[M-H]- 256.14892 163.7
[M+Na-2H]- 278.13087 164.4
[M]+ 257.15565 165.2
[M]- 257.15675 165.2
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.