CID 3068037

2-(2-methoxyphenyl)-1,3-perhydrothiazine-4-one

Structural Information

Molecular Formula
C11H13NO2S
SMILES
COC1=CC=CC=C1C2NC(=O)CCS2
InChI
InChI=1S/C11H13NO2S/c1-14-9-5-3-2-4-8(9)11-12-10(13)6-7-15-11/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKey
CQULDBBHGMHIAE-UHFFFAOYSA-N
Compound name
2-(2-methoxyphenyl)-1,3-thiazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07398 147.0
[M+Na]+ 246.05592 153.8
[M-H]- 222.05942 150.8
[M+NH4]+ 241.10052 163.7
[M+K]+ 262.02986 149.7
[M+H-H2O]+ 206.06396 140.1
[M+HCOO]- 268.06490 160.9
[M+CH3COO]- 282.08055 183.3
[M+Na-2H]- 244.04137 149.0
[M]+ 223.06615 144.7
[M]- 223.06725 144.7
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