CID 53317097

Tta-a2

Structural Information

Molecular Formula
C20H21F3N2O2
SMILES
C[C@H](C1=NC=C(C=C1)OCC(F)(F)F)NC(=O)CC2=CC=C(C=C2)C3CC3
InChI
InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1
InChIKey
GEYDMBNDOVPFJL-CYBMUJFWSA-N
Compound name
2-(4-cyclopropylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

123
Patents

378.15552 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16280 181.0
[M+Na]+ 401.14474 187.8
[M-H]- 377.14824 185.4
[M+NH4]+ 396.18934 186.3
[M+K]+ 417.11868 182.0
[M+H-H2O]+ 361.15278 169.2
[M+HCOO]- 423.15372 197.8
[M+CH3COO]- 437.16937 221.9
[M+Na-2H]- 399.13019 182.5
[M]+ 378.15497 180.8
[M]- 378.15607 180.8
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