CID 63643408

1309611-45-7

Structural Information

Molecular Formula
C14H12N2O4
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC=CC(=N2)C(=O)O
InChI
InChI=1S/C14H12N2O4/c17-13(18)11-7-4-8-12(15-11)16-14(19)20-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,17,18)(H,15,16,19)
InChIKey
DIZCEJIWNYBJQP-UHFFFAOYSA-N
Compound name
6-(phenylmethoxycarbonylamino)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.0797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.086976 159.2
[M+Na]+ 295.068918 165.2
[M-H]- 271.072424 163.3
[M+NH4]+ 290.113523 172.4
[M+K]+ 311.042858 162.4
[M+H-H2O]+ 255.076960 150.5
[M+HCOO]- 317.077901 181.1
[M+CH3COO]- 331.093551 195.4
[M+Na-2H]- 293.054366 164.4
[M]+ 272.07915142 159.5
[M]- 272.08024858 159.5
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.