CID 58211

Brn 3010112

Structural Information

Molecular Formula
C16H20F3NO4
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)CCC(=O)O
InChI
InChI=1S/C16H20F3NO4/c1-11(20-7-8-24-15(23)6-5-14(21)22)9-12-3-2-4-13(10-12)16(17,18)19/h2-4,10-11,20H,5-9H2,1H3,(H,21,22)
InChIKey
UJBMOABZHWABLG-UHFFFAOYSA-N
Compound name
4-oxo-4-[2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.13443 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14171 180.5
[M+Na]+ 370.12365 185.0
[M+NH4]+ 365.16825 182.4
[M+K]+ 386.09759 182.0
[M-H]- 346.12715 174.8
[M+Na-2H]- 368.10910 180.4
[M]+ 347.13388 178.8
[M]- 347.13498 178.8
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.