CID 24840758

2h-1,2,4-oxadiazine-5(6h)-thione, dihydro-2-acetyl-6-methyl-3-(2-methylphenyl)-, cis-(+-)-

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
C[C@H]1C(=S)N[C@H](N(O1)C(=O)C)C2=CC=CC=C2C
InChI
InChI=1S/C13H16N2O2S/c1-8-6-4-5-7-11(8)12-14-13(18)9(2)17-15(12)10(3)16/h4-7,9,12H,1-3H3,(H,14,18)/t9-,12+/m0/s1
InChIKey
XYNYXKLWEBVFEL-JOYOIKCWSA-N
Compound name
1-[(3R,6S)-6-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.09326 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 161.2
[M+Na]+ 287.08248 173.7
[M+NH4]+ 282.12708 168.2
[M+K]+ 303.05642 166.2
[M-H]- 263.08598 164.5
[M+Na-2H]- 285.06793 165.2
[M]+ 264.09271 164.3
[M]- 264.09381 164.3
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

patents stripe