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]+ 347.12132 176.0
[M+Na]+ 369.10326 180.7
[M-H]- 345.10676 174.0
[M+NH4]+ 364.14786 185.8
[M+K]+ 385.07720 176.2
[M+H-H2O]+ 329.11130 165.5
[M+HCOO]- 391.11224 187.7
[M+CH3COO]- 405.12789 207.4
[M+Na-2H]- 367.08871 176.2
[M]+ 346.11349 168.1
[M]- 346.11459 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

No literature data available for this compound.

Patent stripe

patents stripe