CID 3057265

6-(p-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-m-thiazane-4-one hydrobromide

Structural Information

Molecular Formula
C14H17ClN2OS
SMILES
CCC1C(SC(=NC)N(C1=O)C)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H17ClN2OS/c1-4-11-12(9-5-7-10(15)8-6-9)19-14(16-2)17(3)13(11)18/h5-8,11-12H,4H2,1-3H3
InChIKey
CVCHVBJMQZPJQE-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-5-ethyl-3-methyl-2-methylimino-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

296.075 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.08228 167.2
[M+Na]+ 319.06422 181.1
[M+NH4]+ 314.10882 176.1
[M+K]+ 335.03816 170.6
[M-H]- 295.06772 172.0
[M+Na-2H]- 317.04967 173.5
[M]+ 296.07445 171.3
[M]- 296.07555 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.