CID 3042449

4h-1,3-thiazin-4-one, tetrahydro-3-(alpha-methylbenzyl)-2-thioxo-, (+)-

Structural Information

Molecular Formula
C12H13NOS2
SMILES
C[C@@H](C1=CC=CC=C1)N2C(=O)CCSC2=S
InChI
InChI=1S/C12H13NOS2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-16-12(13)15/h2-6,9H,7-8H2,1H3/t9-/m0/s1
InChIKey
AIXZXZDOVAKSCH-VIFPVBQESA-N
Compound name
3-[(1S)-1-phenylethyl]-2-sulfanylidene-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04385 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05113 151.8
[M+Na]+ 274.03307 163.8
[M+NH4]+ 269.07767 161.0
[M+K]+ 290.00701 153.3
[M-H]- 250.03657 155.7
[M+Na-2H]- 272.01852 157.9
[M]+ 251.04330 155.5
[M]- 251.04440 155.5
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.