CID 2878679

302804-30-4

Structural Information

Molecular Formula
C22H22F3N3O2S
SMILES
C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=C(S3)C=CC(=C4)C(F)(F)F
InChI
InChI=1S/C22H22F3N3O2S/c23-22(24,25)14-4-9-18-17(12-14)27-21(30)19(31-18)13-20(29)26-15-5-7-16(8-6-15)28-10-2-1-3-11-28/h4-9,12,19H,1-3,10-11,13H2,(H,26,29)(H,27,30)
InChIKey
JZJPIIKNSHFYLR-UHFFFAOYSA-N
Compound name
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-(4-piperidin-1-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

449.1385 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14578 198.0
[M+Na]+ 472.12772 205.6
[M+NH4]+ 467.17232 202.1
[M+K]+ 488.10166 198.2
[M-H]- 448.13122 197.7
[M+Na-2H]- 470.11317 201.6
[M]+ 449.13795 198.9
[M]- 449.13905 198.9
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.