CID 2859533

N-(2-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]acetamide

Structural Information

Molecular Formula
C18H15F3N2O3S
SMILES
COC1=CC=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H15F3N2O3S/c1-26-13-5-3-2-4-11(13)22-16(24)9-15-17(25)23-12-8-10(18(19,20)21)6-7-14(12)27-15/h2-8,15H,9H2,1H3,(H,22,24)(H,23,25)
InChIKey
YTFGLTCEXSURRX-UHFFFAOYSA-N
Compound name
N-(2-methoxyphenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

396.07556 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.08284 186.6
[M+Na]+ 419.06478 193.5
[M-H]- 395.06828 187.0
[M+NH4]+ 414.10938 196.8
[M+K]+ 435.03872 187.0
[M+H-H2O]+ 379.07282 175.9
[M+HCOO]- 441.07376 194.8
[M+CH3COO]- 455.08941 218.6
[M+Na-2H]- 417.05023 187.4
[M]+ 396.07501 183.4
[M]- 396.07611 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.