CID 3067557

2h-1,3-benzothiazine-2,4(3h)-dione, 3-(3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
CN(C)CCCN1C(=O)C2=CC=CC=C2SC1=O
InChI
InChI=1S/C13H16N2O2S/c1-14(2)8-5-9-15-12(16)10-6-3-4-7-11(10)18-13(15)17/h3-4,6-7H,5,8-9H2,1-2H3
InChIKey
SQZZHLDBDYRPRJ-UHFFFAOYSA-N
Compound name
3-[3-(dimethylamino)propyl]-1,3-benzothiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09326 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 157.2
[M+Na]+ 287.08248 170.7
[M+NH4]+ 282.12708 165.6
[M+K]+ 303.05642 161.6
[M-H]- 263.08598 160.2
[M+Na-2H]- 285.06793 163.5
[M]+ 264.09271 160.5
[M]- 264.09381 160.5
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

No patent data available for this compound.