CID 133052763

Dtxsid30891605

Structural Information

Molecular Formula

C₁₅H₁₆N₂O₃

SMILES

COC1=CC=C(C=C1)CN(CC(=O)O)C2=CC=CC=N2

InChI

InChI=1S/C15H16N2O3/c1-20-13-7-5-12(6-8-13)10-17(11-15(18)19)14-4-2-3-9-16-14/h2-9H,10-11H2,1H3,(H,18,19)

InChIKey

PPJDHLMQESOTEN-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 272.1161 Da
Monoisotopic Mass: 2.8
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]+	273.123376	161.4
[M+Na]+	295.105318	167.1
[M-H]-	271.108824	166.6
[M+NH4]+	290.149923	175.4
[M+K]+	311.079258	164.8
[M+H-H2O]+	255.113360	152.3
[M+HCOO]-	317.114301	184.0
[M+CH3COO]-	331.129951	200.7
[M+Na-2H]-	293.090766	166.4
[M]+	272.11555142	163.3
[M]-	272.11664858	163.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.