CID 204088

4-(4-methoxyphenyl)-2,6-dihydro-1,3,5-oxathiazine

Structural Information

Molecular Formula
C10H11NO2S
SMILES
COC1=CC=C(C=C1)C2=NCOCS2
InChI
InChI=1S/C10H11NO2S/c1-12-9-4-2-8(3-5-9)10-11-6-13-7-14-10/h2-5H,6-7H2,1H3
InChIKey
PIAHAZMFEBRXRT-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-6H-1,3,5-oxathiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.05106 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 141.5
[M+Na]+ 232.04028 149.3
[M-H]- 208.04378 147.6
[M+NH4]+ 227.08488 158.2
[M+K]+ 248.01422 147.8
[M+H-H2O]+ 192.04832 134.2
[M+HCOO]- 254.04926 157.8
[M+CH3COO]- 268.06491 154.4
[M+Na-2H]- 230.02573 146.8
[M]+ 209.05051 142.9
[M]- 209.05161 142.9
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

patents stripe