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]+ 384.141706 187.4
[M+Na]+ 406.123648 192.3
[M-H]- 382.127154 188.3
[M+NH4]+ 401.168253 197.6
[M+K]+ 422.097588 188.5
[M+H-H2O]+ 366.131690 176.4
[M+HCOO]- 428.132631 203.7
[M+CH3COO]- 442.148281 218.1
[M+Na-2H]- 404.109096 188.1
[M]+ 383.13388142 186.1
[M]- 383.13497858 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.