CID 52720

Brn 3009667

Structural Information

Molecular Formula

C₁₉H₂₀F₃NO₃

SMILES

CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C19H20F3NO3/c1-13(11-14-5-4-6-15(12-14)19(20,21)22)23-9-10-26-18(25)16-7-2-3-8-17(16)24/h2-8,12-13,23-24H,9-11H2,1H3

InChIKey

ADDMJGWNANWTRJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 367.13953 Da
Monoisotopic Mass: 4.8
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	184.6
[M+Na]+	390.128748	189.7
[M-H]-	366.132254	185.5
[M+NH4]+	385.173353	195.6
[M+K]+	406.102688	185.2
[M+H-H2O]+	350.136790	173.9
[M+HCOO]-	412.137731	200.8
[M+CH3COO]-	426.153381	215.9
[M+Na-2H]-	388.114196	185.1
[M]+	367.13898142	181.9
[M]-	367.14007858	181.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe