CID 24209016

853333-20-7

Structural Information

Molecular Formula
C21H18F3NO2
SMILES
CC1=CC=CC=C1NC(=O)CCC2=CC=C(O2)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C21H18F3NO2/c1-14-6-2-5-9-18(14)25-20(26)13-11-15-10-12-19(27-15)16-7-3-4-8-17(16)21(22,23)24/h2-10,12H,11,13H2,1H3,(H,25,26)
InChIKey
UGOLPQHHRCGXID-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.12897 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13625 191.9
[M+Na]+ 396.11819 202.0
[M+NH4]+ 391.16279 196.8
[M+K]+ 412.09213 196.8
[M-H]- 372.12169 193.9
[M+Na-2H]- 394.10364 197.5
[M]+ 373.12842 193.8
[M]- 373.12952 193.8
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.