CID 57833322

Methyl 4-(4-aminophenoxy)pyridine-2-carboxylate

Structural Information

Molecular Formula
C13H12N2O3
SMILES
COC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C13H12N2O3/c1-17-13(16)12-8-11(6-7-15-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3
InChIKey
LKNOOBDGFHXDIE-UHFFFAOYSA-N
Compound name
methyl 4-(4-aminophenoxy)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

244.0848 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 153.0
[M+Na]+ 267.07402 160.9
[M-H]- 243.07752 158.4
[M+NH4]+ 262.11862 168.4
[M+K]+ 283.04796 158.3
[M+H-H2O]+ 227.08206 144.5
[M+HCOO]- 289.08300 176.7
[M+CH3COO]- 303.09865 193.8
[M+Na-2H]- 265.05947 158.4
[M]+ 244.08425 154.2
[M]- 244.08535 154.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe