CID 16778625

N-(5-amino-2-fluorophenyl)-3-(morpholin-4-yl)propanamide

Structural Information

Molecular Formula

C₁₃H₁₈FN₃O₂

SMILES

C1COCCN1CCC(=O)NC2=C(C=CC(=C2)N)F

InChI

InChI=1S/C13H18FN3O2/c14-11-2-1-10(15)9-12(11)16-13(18)3-4-17-5-7-19-8-6-17/h1-2,9H,3-8,15H2,(H,16,18)

InChIKey

NIQZAFMCSRPJOO-UHFFFAOYSA-N

Compound name

N-(5-amino-2-fluorophenyl)-3-morpholin-4-ylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.1383 Da
Monoisotopic Mass: 0.1
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]+	268.145576	162.1
[M+Na]+	290.127518	166.4
[M-H]-	266.131024	165.5
[M+NH4]+	285.172123	174.6
[M+K]+	306.101458	164.1
[M+H-H2O]+	250.135560	152.3
[M+HCOO]-	312.136501	180.2
[M+CH3COO]-	326.152151	200.7
[M+Na-2H]-	288.112966	165.0
[M]+	267.13775142	156.4
[M]-	267.13884858	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.