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]+ 216.07675 144.8
[M+Na]+ 238.05869 151.7
[M-H]- 214.06219 152.3
[M+NH4]+ 233.10329 162.0
[M+K]+ 254.03263 150.7
[M+H-H2O]+ 198.06673 136.4
[M+HCOO]- 260.06767 172.2
[M+CH3COO]- 274.08332 189.8
[M+Na-2H]- 236.04414 152.9
[M]+ 215.06892 145.8
[M]- 215.07002 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.