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]+ 368.11043 181.9
[M+Na]+ 390.09237 189.2
[M-H]- 366.09587 184.7
[M+NH4]+ 385.13697 193.8
[M+K]+ 406.06631 185.3
[M+H-H2O]+ 350.10041 170.9
[M+HCOO]- 412.10135 201.2
[M+CH3COO]- 426.11700 217.1
[M+Na-2H]- 388.07782 183.9
[M]+ 367.10260 182.4
[M]- 367.10370 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.