CID 3077523

Brn 4819335

Structural Information

Molecular Formula
C17H16N2O2S
SMILES
CC1=CC=CC=C1N2C3=CC=CC=C3SC(C2=O)CC(=O)N
InChI
InChI=1S/C17H16N2O2S/c1-11-6-2-3-7-12(11)19-13-8-4-5-9-14(13)22-15(17(19)21)10-16(18)20/h2-9,15H,10H2,1H3,(H2,18,20)
InChIKey
WAZIFPWEFSQVPQ-UHFFFAOYSA-N
Compound name
2-[4-(2-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 169.9
[M+Na]+ 335.08248 183.3
[M+NH4]+ 330.12708 178.3
[M+K]+ 351.05642 174.1
[M-H]- 311.08598 174.6
[M+Na-2H]- 333.06793 176.6
[M]+ 312.09271 173.6
[M]- 312.09381 173.6
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.