CID 53561

N-(2-benzyloxynicotinoyl)glycine

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)COC2=C(C=CC=N2)C(=O)NCC(=O)O
InChI
InChI=1S/C15H14N2O4/c18-13(19)9-17-14(20)12-7-4-8-16-15(12)21-10-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKey
MLECTERVGANSQP-UHFFFAOYSA-N
Compound name
2-[(2-phenylmethoxypyridine-3-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.102646 163.5
[M+Na]+ 309.084588 168.8
[M-H]- 285.088094 167.3
[M+NH4]+ 304.129193 176.0
[M+K]+ 325.058528 165.8
[M+H-H2O]+ 269.092630 154.5
[M+HCOO]- 331.093571 184.9
[M+CH3COO]- 345.109221 199.1
[M+Na-2H]- 307.070036 168.1
[M]+ 286.09482142 164.1
[M]- 286.09591858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.