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]+ 313.100536 170.3
[M+Na]+ 335.082478 178.0
[M-H]- 311.085984 175.9
[M+NH4]+ 330.127083 184.6
[M+K]+ 351.056418 172.2
[M+H-H2O]+ 295.090520 162.2
[M+HCOO]- 357.091461 184.3
[M+CH3COO]- 371.107111 180.7
[M+Na-2H]- 333.067926 171.4
[M]+ 312.09271142 170.0
[M]- 312.09380858 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.