CID 2866215

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

Structural Information

Molecular Formula
C17H12ClF3N2O2S
SMILES
C1=CC(=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)Cl
InChI
InChI=1S/C17H12ClF3N2O2S/c18-10-2-4-11(5-3-10)22-15(24)8-14-16(25)23-12-7-9(17(19,20)21)1-6-13(12)26-14/h1-7,14H,8H2,(H,22,24)(H,23,25)
InChIKey
CUQQVOCRGSFOTE-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

400.026 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.03328 183.3
[M+Na]+ 423.01522 191.7
[M-H]- 399.01872 184.0
[M+NH4]+ 418.05982 194.5
[M+K]+ 438.98916 183.4
[M+H-H2O]+ 383.02326 173.9
[M+HCOO]- 445.02420 187.3
[M+CH3COO]- 459.03985 217.0
[M+Na-2H]- 421.00067 184.1
[M]+ 400.02545 180.9
[M]- 400.02655 180.9
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.