CID 3067559

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

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CCN(CC)CCN1C(=O)C2=CC=CC=C2SC1=O
InChI
InChI=1S/C14H18N2O2S/c1-3-15(4-2)9-10-16-13(17)11-7-5-6-8-12(11)19-14(16)18/h5-8H,3-4,9-10H2,1-2H3
InChIKey
FLGHNZVEVKGSLY-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-1,3-benzothiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 160.4
[M+Na]+ 301.09812 169.5
[M-H]- 277.10162 165.2
[M+NH4]+ 296.14272 177.6
[M+K]+ 317.07206 165.7
[M+H-H2O]+ 261.10616 152.8
[M+HCOO]- 323.10710 178.8
[M+CH3COO]- 337.12275 204.4
[M+Na-2H]- 299.08357 164.1
[M]+ 278.10835 166.7
[M]- 278.10945 166.7
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

No patent data available for this compound.