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
Annotation Hits

0
References

0
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 165.9
[M+Na]+ 319.06422 175.0
[M-H]- 295.06772 172.8
[M+NH4]+ 314.10882 182.4
[M+K]+ 335.03816 169.2
[M+H-H2O]+ 279.07226 158.9
[M+HCOO]- 341.07320 177.9
[M+CH3COO]- 355.08885 206.0
[M+Na-2H]- 317.04967 165.0
[M]+ 296.07445 168.5
[M]- 296.07555 168.5
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.