CID 24835172

96804-40-9

Structural Information

Molecular Formula

C₁₃H₁₇FN₂O₃

SMILES

CN(C)N(CCC(=O)OC)C(=O)C1=CC=CC=C1F

InChI

InChI=1S/C13H17FN2O3/c1-15(2)16(9-8-12(17)19-3)13(18)10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3

InChIKey

WUZZXPSGJPKJRH-UHFFFAOYSA-N

Compound name

methyl 3-[dimethylamino-(2-fluorobenzoyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 268.1223 Da
Monoisotopic Mass: 1.5
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]+	269.129576	160.7
[M+Na]+	291.111518	166.0
[M-H]-	267.115024	165.5
[M+NH4]+	286.156123	177.6
[M+K]+	307.085458	166.9
[M+H-H2O]+	251.119560	152.1
[M+HCOO]-	313.120501	185.0
[M+CH3COO]-	327.136151	208.8
[M+Na-2H]-	289.096966	162.1
[M]+	268.12175142	163.8
[M]-	268.12284858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe