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 152.8
[M+Na]+ 273.06682 166.5
[M+NH4]+ 268.11142 161.4
[M+K]+ 289.04076 157.7
[M-H]- 249.07032 155.9
[M+Na-2H]- 271.05227 159.3
[M]+ 250.07705 156.1
[M]- 250.07815 156.1
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.