CID 3043146

Brn 2184349

Structural Information

Molecular Formula
C19H20F3NO4
SMILES
CCOC(=O)C1=CC=CC=C1OCC(CNC2=CC=CC(=C2)C(F)(F)F)O
InChI
InChI=1S/C19H20F3NO4/c1-2-26-18(25)16-8-3-4-9-17(16)27-12-15(24)11-23-14-7-5-6-13(10-14)19(20,21)22/h3-10,15,23-24H,2,11-12H2,1H3
InChIKey
JBUPZBWPYKDMOW-UHFFFAOYSA-N
Compound name
ethyl 2-[2-hydroxy-3-[3-(trifluoromethyl)anilino]propoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.13443 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14171 188.9
[M+Na]+ 406.12365 196.1
[M+NH4]+ 401.16825 191.9
[M+K]+ 422.09759 191.5
[M-H]- 382.12715 186.4
[M+Na-2H]- 404.10910 192.2
[M]+ 383.13388 188.7
[M]- 383.13498 188.7
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.