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]+ 287.10265 164.8
[M+Na]+ 309.08459 176.2
[M+NH4]+ 304.12919 170.4
[M+K]+ 325.05853 171.0
[M-H]- 285.08809 166.8
[M+Na-2H]- 307.07004 171.8
[M]+ 286.09482 166.6
[M]- 286.09592 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.