CID 97102448

Rac-2,2,2-trifluoro-n-[(3r,4s)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]acetamide

Structural Information

Molecular Formula
C14H16F4N2O2
SMILES
COC1=C(C=C(C=C1)[C@@H]2CCNC[C@@H]2NC(=O)C(F)(F)F)F
InChI
InChI=1S/C14H16F4N2O2/c1-22-12-3-2-8(6-10(12)15)9-4-5-19-7-11(9)20-13(21)14(16,17)18/h2-3,6,9,11,19H,4-5,7H2,1H3,(H,20,21)/t9-,11-/m0/s1
InChIKey
YEILSRWYXHGSSM-ONGXEEELSA-N
Compound name
2,2,2-trifluoro-N-[(3R,4S)-4-(3-fluoro-4-methoxyphenyl)piperidin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12206 170.4
[M+Na]+ 343.10400 176.1
[M-H]- 319.10750 168.5
[M+NH4]+ 338.14860 182.1
[M+K]+ 359.07794 171.4
[M+H-H2O]+ 303.11204 159.1
[M+HCOO]- 365.11298 182.3
[M+CH3COO]- 379.12863 205.8
[M+Na-2H]- 341.08945 170.5
[M]+ 320.11423 160.5
[M]- 320.11533 160.5
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.