CID 3033751

93150-45-9

Structural Information

Molecular Formula
C16H21N3O3S
SMILES
CCN(CC)C1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C16H21N3O3S/c1-4-18(5-2)13-14(20)17-16(23)19(15(13)21)11-7-9-12(10-8-11)22-6-3/h7-10,13H,4-6H2,1-3H3,(H,17,20,23)
InChIKey
BMSLBYVTMXOVSM-UHFFFAOYSA-N
Compound name
5-(diethylamino)-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.13037 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.13765 179.4
[M+Na]+ 358.11959 189.8
[M+NH4]+ 353.16419 184.8
[M+K]+ 374.09353 182.3
[M-H]- 334.12309 181.2
[M+Na-2H]- 356.10504 182.8
[M]+ 335.12982 181.5
[M]- 335.13092 181.5
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.