CID 49767997

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

Structural Information

Molecular Formula
C16H15Cl2NO2S
SMILES
CC1CC(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)CC3=CC=CO3
InChI
InChI=1S/C16H15Cl2NO2S/c1-10-8-14(20)19(9-11-4-3-7-21-11)16(22-10)15-12(17)5-2-6-13(15)18/h2-7,10,16H,8-9H2,1H3
InChIKey
UJGDVMKEXRADPU-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(furan-2-ylmethyl)-6-methyl-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.02005 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.02733 179.9
[M+Na]+ 378.00927 190.1
[M-H]- 354.01277 189.0
[M+NH4]+ 373.05387 194.4
[M+K]+ 393.98321 184.2
[M+H-H2O]+ 338.01731 173.7
[M+HCOO]- 400.01825 185.3
[M+CH3COO]- 414.03390 190.9
[M+Na-2H]- 375.99472 176.7
[M]+ 355.01950 184.4
[M]- 355.02060 184.4
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.