CID 3147893

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

Structural Information

Molecular Formula
C17H12F4N2O2S
SMILES
C1=CC(=CC=C1NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)C(F)(F)F)F
InChI
InChI=1S/C17H12F4N2O2S/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
AEGAQTVYWALGOU-UHFFFAOYSA-N
Compound name
N-(4-fluorophenyl)-2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.05557 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06285 181.7
[M+Na]+ 407.04479 189.5
[M-H]- 383.04829 180.9
[M+NH4]+ 402.08939 192.4
[M+K]+ 423.01873 181.9
[M+H-H2O]+ 367.05283 170.4
[M+HCOO]- 429.05377 189.0
[M+CH3COO]- 443.06942 216.2
[M+Na-2H]- 405.03024 182.1
[M]+ 384.05502 175.7
[M]- 384.05612 175.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.