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 163.8
[M+Na]+ 309.08459 169.2
[M-H]- 285.08809 167.6
[M+NH4]+ 304.12919 176.4
[M+K]+ 325.05853 166.3
[M+H-H2O]+ 269.09263 154.9
[M+HCOO]- 331.09357 185.3
[M+CH3COO]- 345.10922 198.4
[M+Na-2H]- 307.07004 168.4
[M]+ 286.09482 164.3
[M]- 286.09592 164.3
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.