CID 10472784

Am5zfe94fl

Structural Information

Molecular Formula
C15H17F3N2O4
SMILES
C1CC(NC(=O)C1)CNC(=O)C2=C(C=CC(=C2)O)OCC(F)(F)F
InChI
InChI=1S/C15H17F3N2O4/c16-15(17,18)8-24-12-5-4-10(21)6-11(12)14(23)19-7-9-2-1-3-13(22)20-9/h4-6,9,21H,1-3,7-8H2,(H,19,23)(H,20,22)
InChIKey
OIOMUGZSHNAEMH-UHFFFAOYSA-N
Compound name
5-hydroxy-N-[(6-oxopiperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

346.11404 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.121316 176.0
[M+Na]+ 369.103258 180.7
[M-H]- 345.106764 174.0
[M+NH4]+ 364.147863 185.8
[M+K]+ 385.077198 176.2
[M+H-H2O]+ 329.111300 165.5
[M+HCOO]- 391.112241 187.7
[M+CH3COO]- 405.127891 207.4
[M+Na-2H]- 367.088706 176.2
[M]+ 346.11349142 168.1
[M]- 346.11458858 168.1
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

patents stripe