CID 3067555

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

Structural Information

Molecular Formula
C12H14N2O2S
SMILES
CN(C)CCN1C(=O)C2=CC=CC=C2SC1=O
InChI
InChI=1S/C12H14N2O2S/c1-13(2)7-8-14-11(15)9-5-3-4-6-10(9)17-12(14)16/h3-6H,7-8H2,1-2H3
InChIKey
CTBLINXWVGUSOF-UHFFFAOYSA-N
Compound name
3-[2-(dimethylamino)ethyl]-1,3-benzothiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.08488 151.3
[M+Na]+ 273.06682 161.4
[M-H]- 249.07032 156.6
[M+NH4]+ 268.11142 169.7
[M+K]+ 289.04076 158.1
[M+H-H2O]+ 233.07486 144.2
[M+HCOO]- 295.07580 170.5
[M+CH3COO]- 309.09145 198.4
[M+Na-2H]- 271.05227 156.0
[M]+ 250.07705 157.0
[M]- 250.07815 157.0
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.