CID 49768024

3-(2-furylmethyl)-2-(2-methoxyphenyl)-1,3-thiazinan-4-one

Structural Information

Molecular Formula
C16H17NO3S
SMILES
COC1=CC=CC=C1C2N(C(=O)CCS2)CC3=CC=CO3
InChI
InChI=1S/C16H17NO3S/c1-19-14-7-3-2-6-13(14)16-17(15(18)8-10-21-16)11-12-5-4-9-20-12/h2-7,9,16H,8,10-11H2,1H3
InChIKey
AZHSLDUPTXOJJV-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-(2-methoxyphenyl)-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.09293 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10021 168.5
[M+Na]+ 326.08215 176.1
[M-H]- 302.08565 177.8
[M+NH4]+ 321.12675 183.2
[M+K]+ 342.05609 173.2
[M+H-H2O]+ 286.09019 160.9
[M+HCOO]- 348.09113 184.2
[M+CH3COO]- 362.10678 180.2
[M+Na-2H]- 324.06760 168.2
[M]+ 303.09238 170.6
[M]- 303.09348 170.6
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.