CID 3056717

3-(2-furyl)-n-(alpha-methyl-m-trifluoromethylphenethyl)propionamide

Structural Information

Molecular Formula
C17H18F3NO2
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)CCC2=CC=CO2
InChI
InChI=1S/C17H18F3NO2/c1-12(21-16(22)8-7-15-6-3-9-23-15)10-13-4-2-5-14(11-13)17(18,19)20/h2-6,9,11-12H,7-8,10H2,1H3,(H,21,22)
InChIKey
LVSYXVCHLYNAKL-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.12897 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13625 174.8
[M+Na]+ 348.11819 180.5
[M-H]- 324.12169 177.9
[M+NH4]+ 343.16279 188.8
[M+K]+ 364.09213 177.6
[M+H-H2O]+ 308.12623 165.1
[M+HCOO]- 370.12717 192.9
[M+CH3COO]- 384.14282 209.0
[M+Na-2H]- 346.10364 175.9
[M]+ 325.12842 172.9
[M]- 325.12952 172.9
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.