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]+ 342.12708 176.8
[M+Na]+ 364.10902 181.9
[M-H]- 340.11252 182.2
[M+NH4]+ 359.15362 189.4
[M+K]+ 380.08296 176.8
[M+H-H2O]+ 324.11706 168.1
[M+HCOO]- 386.11800 191.0
[M+CH3COO]- 400.13365 215.8
[M+Na-2H]- 362.09447 179.0
[M]+ 341.11925 176.0
[M]- 341.12035 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.