CID 5341081

Mls000578189

Structural Information

Molecular Formula
C11H9N3O2
SMILES
C1=CC=NC(=C1)C(=O)N/N=C/C2=CC=CO2
InChI
InChI=1S/C11H9N3O2/c15-11(10-5-1-2-6-12-10)14-13-8-9-4-3-7-16-9/h1-8H,(H,14,15)/b13-8+
InChIKey
WNDWIYFQLHEAMR-MDWZMJQESA-N
Compound name
N-[(E)-furan-2-ylmethylideneamino]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

215.06947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 144.8
[M+Na]+ 238.058688 151.7
[M-H]- 214.062194 152.3
[M+NH4]+ 233.103293 162.0
[M+K]+ 254.032628 150.7
[M+H-H2O]+ 198.066730 136.4
[M+HCOO]- 260.067671 172.2
[M+CH3COO]- 274.083321 189.8
[M+Na-2H]- 236.044136 152.9
[M]+ 215.06892142 145.8
[M]- 215.07001858 145.8
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.