CID 2874219

N-[4-(difluoromethoxy)phenyl]-2-(3-oxo-3,4-dihydro-2h-1,4-benzothiazin-2-yl)acetamide

Structural Information

Molecular Formula
C17H14F2N2O3S
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)OC(F)F
InChI
InChI=1S/C17H14F2N2O3S/c18-17(19)24-11-7-5-10(6-8-11)20-15(22)9-14-16(23)21-12-3-1-2-4-13(12)25-14/h1-8,14,17H,9H2,(H,20,22)(H,21,23)
InChIKey
JLCBNINGAXMFGR-UHFFFAOYSA-N
Compound name
N-[4-(difluoromethoxy)phenyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

364.0693 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.07658 177.4
[M+Na]+ 387.05852 183.2
[M-H]- 363.06202 178.8
[M+NH4]+ 382.10312 188.5
[M+K]+ 403.03246 177.2
[M+H-H2O]+ 347.06656 167.3
[M+HCOO]- 409.06750 187.6
[M+CH3COO]- 423.08315 212.8
[M+Na-2H]- 385.04397 178.0
[M]+ 364.06875 174.6
[M]- 364.06985 174.6
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.