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]+ 367.072246 178.6
[M+Na]+ 389.054188 185.5
[M-H]- 365.057694 178.9
[M+NH4]+ 384.098793 189.9
[M+K]+ 405.028128 178.3
[M+H-H2O]+ 349.062230 168.1
[M+HCOO]- 411.063171 187.0
[M+CH3COO]- 425.078821 212.2
[M+Na-2H]- 387.039636 180.3
[M]+ 366.06442142 173.3
[M]- 366.06551858 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.