CID 3065086

Brn 4815321

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
CC1=CC=C(C=C1)N2C3=CC=CC=C3SC(C2=O)CC(=O)N
InChI
InChI=1S/C17H16N2O2S/c1-11-6-8-12(9-7-11)19-13-4-2-3-5-14(13)22-15(17(19)21)10-16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)
InChIKey
BIQWSIQWFMXHKK-UHFFFAOYSA-N
Compound name
2-[4-(4-methylphenyl)-3-oxo-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09326 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10054 170.3
[M+Na]+ 335.08248 178.0
[M-H]- 311.08598 175.9
[M+NH4]+ 330.12708 184.6
[M+K]+ 351.05642 172.2
[M+H-H2O]+ 295.09052 162.2
[M+HCOO]- 357.09146 184.3
[M+CH3COO]- 371.10711 180.7
[M+Na-2H]- 333.06793 171.4
[M]+ 312.09271 170.0
[M]- 312.09381 170.0
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.