CID 24212673

3-(3-chloro-4-methoxyphenyl)-n-(2-(trifluoromethyl)phenyl)propanamide

Structural Information

Molecular Formula
C17H15ClF3NO2
SMILES
COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC=C2C(F)(F)F)Cl
InChI
InChI=1S/C17H15ClF3NO2/c1-24-15-8-6-11(10-13(15)18)7-9-16(23)22-14-5-3-2-4-12(14)17(19,20)21/h2-6,8,10H,7,9H2,1H3,(H,22,23)
InChIKey
UOYYHRKVVRAQOQ-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.07434 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08162 177.9
[M+Na]+ 380.06356 186.6
[M-H]- 356.06706 180.8
[M+NH4]+ 375.10816 191.5
[M+K]+ 396.03750 180.3
[M+H-H2O]+ 340.07160 168.3
[M+HCOO]- 402.07254 192.6
[M+CH3COO]- 416.08819 214.3
[M+Na-2H]- 378.04901 179.9
[M]+ 357.07379 178.4
[M]- 357.07489 178.4
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.