CID 72106

Morniflumate

Structural Information

Molecular Formula

C₁₉H₂₀F₃N₃O₃

SMILES

C1COCCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O3/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25/h1-6,13H,7-12H2,(H,23,24)

InChIKey

LDXSPUSKBDTEKA-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 41
References: 4108
Patents: 395.1457 Da
Monoisotopic Mass: 3.7
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]+	396.152976	192.0
[M+Na]+	418.134918	196.1
[M-H]-	394.138424	194.4
[M+NH4]+	413.179523	197.7
[M+K]+	434.108858	192.2
[M+H-H2O]+	378.142960	178.0
[M+HCOO]-	440.143901	203.9
[M+CH3COO]-	454.159551	220.1
[M+Na-2H]-	416.120366	194.5
[M]+	395.14515142	186.5
[M]-	395.14624858	186.5

Literature stripe

literature stripe

Patent stripe

patents stripe