CID 375095

Nsc654107

Structural Information

Molecular Formula
C11H8N2O2
SMILES
C1=CC(=CN=C1)C(=O)N=CC2=CC=CO2
InChI
InChI=1S/C11H8N2O2/c14-11(9-3-1-5-12-7-9)13-8-10-4-2-6-15-10/h1-8H
InChIKey
PGQBLUPACRLFJC-UHFFFAOYSA-N
Compound name
N-(furan-2-ylmethylidene)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.05858 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 141.0
[M+Na]+ 223.04780 148.9
[M-H]- 199.05130 148.6
[M+NH4]+ 218.09240 159.3
[M+K]+ 239.02174 148.0
[M+H-H2O]+ 183.05584 133.2
[M+HCOO]- 245.05678 167.4
[M+CH3COO]- 259.07243 184.9
[M+Na-2H]- 221.03325 148.6
[M]+ 200.05803 142.8
[M]- 200.05913 142.8
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.