CID 2884346

2-[3-oxo-6-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzothiazin-2-yl]-n-phenylacetamide

Structural Information

Molecular Formula
C17H13F3N2O2S
SMILES
C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H13F3N2O2S/c18-17(19,20)10-6-7-13-12(8-10)22-16(24)14(25-13)9-15(23)21-11-4-2-1-3-5-11/h1-8,14H,9H2,(H,21,23)(H,22,24)
InChIKey
RGBAWINZYQCYTK-UHFFFAOYSA-N
Compound name
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

366.06497 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07225 178.6
[M+Na]+ 389.05419 185.5
[M-H]- 365.05769 178.9
[M+NH4]+ 384.09879 189.9
[M+K]+ 405.02813 178.3
[M+H-H2O]+ 349.06223 168.1
[M+HCOO]- 411.06317 187.0
[M+CH3COO]- 425.07882 212.2
[M+Na-2H]- 387.03964 180.3
[M]+ 366.06442 173.3
[M]- 366.06552 173.3
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.