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 163.5
[M+Na]+ 309.08459 168.8
[M-H]- 285.08809 167.3
[M+NH4]+ 304.12919 176.0
[M+K]+ 325.05853 165.8
[M+H-H2O]+ 269.09263 154.5
[M+HCOO]- 331.09357 184.9
[M+CH3COO]- 345.10922 199.1
[M+Na-2H]- 307.07004 168.1
[M]+ 286.09482 164.1
[M]- 286.09592 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.