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 168.6
[M+Na]+ 316.10902 175.3
[M-H]- 292.11252 173.3
[M+NH4]+ 311.15362 180.6
[M+K]+ 332.08296 172.4
[M+H-H2O]+ 276.11706 160.4
[M+HCOO]- 338.11800 179.9
[M+CH3COO]- 352.13365 205.5
[M+Na-2H]- 314.09447 167.1
[M]+ 293.11925 168.3
[M]- 293.12035 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.