CID 3035315

1231-18-1

Structural Information

Molecular Formula
C15H19N3O3S
SMILES
CN(C)CCC1(C(=O)NC(=S)NC1=O)C2=CC(=CC=C2)OC
InChI
InChI=1S/C15H19N3O3S/c1-18(2)8-7-15(10-5-4-6-11(9-10)21-3)12(19)16-14(22)17-13(15)20/h4-6,9H,7-8H2,1-3H3,(H2,16,17,19,20,22)
InChIKey
ZJKLHYHVNUVZOI-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11472 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12200 173.9
[M+Na]+ 344.10394 183.8
[M+NH4]+ 339.14854 180.6
[M+K]+ 360.07788 175.0
[M-H]- 320.10744 175.2
[M+Na-2H]- 342.08939 179.1
[M]+ 321.11417 175.9
[M]- 321.11527 175.9
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.