CID 3063280

100371-91-3

Structural Information

Molecular Formula
C13H15NOS2
SMILES
CCC1(COC(=S)N(C1=S)C)C2=CC=CC=C2
InChI
InChI=1S/C13H15NOS2/c1-3-13(10-7-5-4-6-8-10)9-15-12(17)14(2)11(13)16/h4-8H,3,9H2,1-2H3
InChIKey
BYEPMGUVSKSOPS-UHFFFAOYSA-N
Compound name
5-ethyl-3-methyl-5-phenyl-1,3-oxazinane-2,4-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0595 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.06678 157.0
[M+Na]+ 288.04872 170.0
[M+NH4]+ 283.09332 167.5
[M+K]+ 304.02266 157.3
[M-H]- 264.05222 162.4
[M+Na-2H]- 286.03417 164.1
[M]+ 265.05895 161.6
[M]- 265.06005 161.6
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.