CID 49767996

2-(2,6-dichlorophenyl)-3-(3-pyridylmethyl)-1,3-thiazinan-4-one

Structural Information

Molecular Formula
C16H14Cl2N2OS
SMILES
C1CSC(N(C1=O)CC2=CN=CC=C2)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C16H14Cl2N2OS/c17-12-4-1-5-13(18)15(12)16-20(14(21)6-8-22-16)10-11-3-2-7-19-9-11/h1-5,7,9,16H,6,8,10H2
InChIKey
MHYOOICXTSTWIK-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(pyridin-3-ylmethyl)-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.0204 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.02768 175.3
[M+Na]+ 375.00962 184.3
[M-H]- 351.01312 181.3
[M+NH4]+ 370.05422 187.4
[M+K]+ 390.98356 176.6
[M+H-H2O]+ 335.01766 166.8
[M+HCOO]- 397.01860 179.1
[M+CH3COO]- 411.03425 184.9
[M+Na-2H]- 372.99507 174.9
[M]+ 352.01985 176.8
[M]- 352.02095 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.