CID 210138

Brn 2892373

Structural Information

Molecular Formula
C19H20F3NO
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C19H20F3NO/c1-14(12-16-8-5-9-17(13-16)19(20,21)22)23-18(24)11-10-15-6-3-2-4-7-15/h2-9,13-14H,10-12H2,1H3,(H,23,24)
InChIKey
DCQFMCXGWBAAIG-UHFFFAOYSA-N
Compound name
3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1497 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.15698 178.6
[M+Na]+ 358.13892 183.5
[M-H]- 334.14242 180.5
[M+NH4]+ 353.18352 191.5
[M+K]+ 374.11286 178.4
[M+H-H2O]+ 318.14696 167.8
[M+HCOO]- 380.14790 195.8
[M+CH3COO]- 394.16355 213.0
[M+Na-2H]- 356.12437 179.9
[M]+ 335.14915 174.5
[M]- 335.15025 174.5
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.