CID 165438128

2648454-31-1

Structural Information

Molecular Formula
C20H20F3NO4
SMILES
CC(C)(C)C(=O)ON(C(=O)C1=CC=C(C=C1)C(F)(F)F)OCC2=CC=CC=C2
InChI
InChI=1S/C20H20F3NO4/c1-19(2,3)18(26)28-24(27-13-14-7-5-4-6-8-14)17(25)15-9-11-16(12-10-15)20(21,22)23/h4-12H,13H2,1-3H3
InChIKey
LSRIAXNLHPQUHD-UHFFFAOYSA-N
Compound name
[phenylmethoxy-[4-(trifluoromethyl)benzoyl]amino] 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

395.13443 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.14171 189.9
[M+Na]+ 418.12365 195.1
[M-H]- 394.12715 193.6
[M+NH4]+ 413.16825 201.0
[M+K]+ 434.09759 193.3
[M+H-H2O]+ 378.13169 179.0
[M+HCOO]- 440.13263 206.6
[M+CH3COO]- 454.14828 223.1
[M+Na-2H]- 416.10910 191.7
[M]+ 395.13388 190.2
[M]- 395.13498 190.2
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

patents stripe