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 187.4
[M+Na]+ 406.12365 192.3
[M-H]- 382.12715 188.3
[M+NH4]+ 401.16825 197.6
[M+K]+ 422.09759 188.5
[M+H-H2O]+ 366.13169 176.4
[M+HCOO]- 428.13263 203.7
[M+CH3COO]- 442.14828 218.1
[M+Na-2H]- 404.10910 188.1
[M]+ 383.13388 186.1
[M]- 383.13498 186.1
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.