CID 3033749

92650-05-0

Structural Information

Molecular Formula
C15H19N3O3S
SMILES
CCN(CC)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C15H19N3O3S/c1-4-17(5-2)12-13(19)16-15(22)18(14(12)20)10-6-8-11(21-3)9-7-10/h6-9,12H,4-5H2,1-3H3,(H,16,19,22)
InChIKey
RVLOFLAZNICSBS-UHFFFAOYSA-N
Compound name
5-(diethylamino)-1-(4-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12200 173.6
[M+Na]+ 344.10394 180.6
[M-H]- 320.10744 177.5
[M+NH4]+ 339.14854 185.6
[M+K]+ 360.07788 176.1
[M+H-H2O]+ 304.11198 165.1
[M+HCOO]- 366.11292 186.6
[M+CH3COO]- 380.12857 210.8
[M+Na-2H]- 342.08939 171.7
[M]+ 321.11417 174.8
[M]- 321.11527 174.8
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.