CID 13394783

N-ethyl-n-((2-hydroxybenzoyl)oxy)-alpha-methyl-3-(trifluoromethyl)benzeneethanamine

Structural Information

Molecular Formula

C₁₉H₂₀F₃NO₃

SMILES

CCN(C(C)CC1=CC(=CC=C1)C(F)(F)F)OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C19H20F3NO3/c1-3-23(26-18(25)16-9-4-5-10-17(16)24)13(2)11-14-7-6-8-15(12-14)19(20,21)22/h4-10,12-13,24H,3,11H2,1-2H3

InChIKey

PIPXHQYQFQCMCN-UHFFFAOYSA-N

Compound name

[ethyl-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino] 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 367.13953 Da
Monoisotopic Mass: 5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	368.146806	184.3
[M+Na]+	390.128748	189.6
[M-H]-	366.132254	186.7
[M+NH4]+	385.173353	196.0
[M+K]+	406.102688	186.5
[M+H-H2O]+	350.136790	173.5
[M+HCOO]-	412.137731	201.0
[M+CH3COO]-	426.153381	219.2
[M+Na-2H]-	388.114196	184.1
[M]+	367.13898142	182.9
[M]-	367.14007858	182.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.