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]+ 322.121996 173.6
[M+Na]+ 344.103938 180.6
[M-H]- 320.107444 177.5
[M+NH4]+ 339.148543 185.6
[M+K]+ 360.077878 176.1
[M+H-H2O]+ 304.111980 165.1
[M+HCOO]- 366.112921 186.6
[M+CH3COO]- 380.128571 210.8
[M+Na-2H]- 342.089386 171.7
[M]+ 321.11417142 174.8
[M]- 321.11526858 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.