CID 24209018

853333-32-1

Structural Information

Molecular Formula
C22H20F3NO2
SMILES
CC1=CC(=C(C=C1)NC(=O)CCC2=CC=C(O2)C3=CC=CC=C3C(F)(F)F)C
InChI
InChI=1S/C22H20F3NO2/c1-14-7-10-19(15(2)13-14)26-21(27)12-9-16-8-11-20(28-16)17-5-3-4-6-18(17)22(23,24)25/h3-8,10-11,13H,9,12H2,1-2H3,(H,26,27)
InChIKey
GJIXUJROIUCENG-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14462 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15190 192.0
[M+Na]+ 410.13384 199.9
[M-H]- 386.13734 199.0
[M+NH4]+ 405.17844 203.8
[M+K]+ 426.10778 194.9
[M+H-H2O]+ 370.14188 181.2
[M+HCOO]- 432.14282 210.6
[M+CH3COO]- 446.15847 222.6
[M+Na-2H]- 408.11929 191.7
[M]+ 387.14407 191.2
[M]- 387.14517 191.2
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.