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]+ 294.12708 168.8
[M+Na]+ 316.10902 179.9
[M+NH4]+ 311.15362 175.3
[M+K]+ 332.08296 173.2
[M-H]- 292.11252 172.6
[M+Na-2H]- 314.09447 172.6
[M]+ 293.11925 171.7
[M]- 293.12035 171.7
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.