CID 99221

3-benzyl-5-methyl-1,3,5-thiadiazinane-2-thione

Structural Information

Molecular Formula
C11H14N2S2
SMILES
CN1CN(C(=S)SC1)CC2=CC=CC=C2
InChI
InChI=1S/C11H14N2S2/c1-12-8-13(11(14)15-9-12)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
BFLHJRCTMSBRPJ-UHFFFAOYSA-N
Compound name
3-benzyl-5-methyl-1,3,5-thiadiazinane-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.05984 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.06712 149.0
[M+Na]+ 261.04906 161.9
[M+NH4]+ 256.09366 158.6
[M+K]+ 277.02300 150.5
[M-H]- 237.05256 153.2
[M+Na-2H]- 259.03451 155.6
[M]+ 238.05929 153.0
[M]- 238.06039 153.0
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

patents stripe