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 153.5
[M+Na]+ 288.04872 162.1
[M-H]- 264.05222 159.1
[M+NH4]+ 283.09332 170.5
[M+K]+ 304.02266 157.5
[M+H-H2O]+ 248.05676 147.4
[M+HCOO]- 310.05770 162.0
[M+CH3COO]- 324.07335 165.0
[M+Na-2H]- 286.03417 154.6
[M]+ 265.05895 153.7
[M]- 265.06005 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.