CID 24840759

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

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
C[C@H]1C(=S)N[C@H](N(O1)C(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C12H14N2O2S/c1-8-12(17)13-11(14(16-8)9(2)15)10-6-4-3-5-7-10/h3-8,11H,1-2H3,(H,13,17)/t8-,11+/m0/s1
InChIKey
XXYYJBWIYFIEIF-GZMMTYOYSA-N
Compound name
1-[(3R,6S)-6-methyl-3-phenyl-5-sulfanylidene-1,2,4-oxadiazinan-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.084876 155.6
[M+Na]+ 273.066818 163.1
[M-H]- 249.070324 158.9
[M+NH4]+ 268.111423 168.8
[M+K]+ 289.040758 159.4
[M+H-H2O]+ 233.074860 148.1
[M+HCOO]- 295.075801 166.2
[M+CH3COO]- 309.091451 189.8
[M+Na-2H]- 271.052266 155.8
[M]+ 250.07705142 153.7
[M]- 250.07814858 153.7
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.