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]+ 251.08488 155.6
[M+Na]+ 273.06682 163.1
[M-H]- 249.07032 158.9
[M+NH4]+ 268.11142 168.8
[M+K]+ 289.04076 159.4
[M+H-H2O]+ 233.07486 148.1
[M+HCOO]- 295.07580 166.2
[M+CH3COO]- 309.09145 189.8
[M+Na-2H]- 271.05227 155.8
[M]+ 250.07705 153.7
[M]- 250.07815 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.