CID 1020496

2-(2-ethoxy-4-formylphenoxy)-n-[3-(trifluoromethyl)phenyl]acetamide

Structural Information

Molecular Formula
C18H16F3NO4
SMILES
CCOC1=C(C=CC(=C1)C=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C18H16F3NO4/c1-2-25-16-8-12(10-23)6-7-15(16)26-11-17(24)22-14-5-3-4-13(9-14)18(19,20)21/h3-10H,2,11H2,1H3,(H,22,24)
InChIKey
CYRMMLWZHDNBHT-UHFFFAOYSA-N
Compound name
2-(2-ethoxy-4-formylphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.10315 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.110426 181.9
[M+Na]+ 390.092368 189.2
[M-H]- 366.095874 184.7
[M+NH4]+ 385.136973 193.8
[M+K]+ 406.066308 185.3
[M+H-H2O]+ 350.100410 170.9
[M+HCOO]- 412.101351 201.2
[M+CH3COO]- 426.117001 217.1
[M+Na-2H]- 388.077816 183.9
[M]+ 367.10260142 182.4
[M]- 367.10369858 182.4
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.