CID 3115588

N-[4-(dimethylamino)phenyl]-2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetamide

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2
InChI
InChI=1S/C18H19N3O2S/c1-21(2)13-9-7-12(8-10-13)19-17(22)11-16-18(23)20-14-5-3-4-6-15(14)24-16/h3-10,16H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKey
JSYOYMWSMMVNAZ-UHFFFAOYSA-N
Compound name
N-[4-(dimethylamino)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 176.8
[M+Na]+ 364.109018 181.9
[M-H]- 340.112524 182.2
[M+NH4]+ 359.153623 189.4
[M+K]+ 380.082958 176.8
[M+H-H2O]+ 324.117060 168.1
[M+HCOO]- 386.118001 191.0
[M+CH3COO]- 400.133651 215.8
[M+Na-2H]- 362.094466 179.0
[M]+ 341.11925142 176.0
[M]- 341.12034858 176.0
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.