CID 137949204

2138304-17-1

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)COC(=O)NCC2=NC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H14N2O4/c18-14(19)12-6-7-13(16-8-12)9-17-15(20)21-10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKey
HOIDHNBAOBLNQY-UHFFFAOYSA-N
Compound name
6-(phenylmethoxycarbonylaminomethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09537 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 164.9
[M+Na]+ 309.08459 176.4
[M+NH4]+ 304.12919 170.5
[M+K]+ 325.05853 171.2
[M-H]- 285.08809 167.0
[M+Na-2H]- 307.07004 172.0
[M]+ 286.09482 166.8
[M]- 286.09592 166.8
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

No patent data available for this compound.