CID 24840756

103900-06-7

Structural Information

Molecular Formula
C14H19N3O2S
SMILES
C[C@H]1C(=S)N[C@H](N(O1)C(=O)C)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C14H19N3O2S/c1-9-14(20)15-13(17(19-9)10(2)18)11-5-7-12(8-6-11)16(3)4/h5-9,13H,1-4H3,(H,15,20)/t9-,13+/m0/s1
InChIKey
DICQBVRHWPDPHN-TVQRCGJNSA-N
Compound name
1-[(3R,6S)-3-[4-(dimethylamino)phenyl]-6-methyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.127076 168.6
[M+Na]+ 316.109018 175.3
[M-H]- 292.112524 173.3
[M+NH4]+ 311.153623 180.6
[M+K]+ 332.082958 172.4
[M+H-H2O]+ 276.117060 160.4
[M+HCOO]- 338.118001 179.9
[M+CH3COO]- 352.133651 205.5
[M+Na-2H]- 314.094466 167.1
[M]+ 293.11925142 168.3
[M]- 293.12034858 168.3
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.