CID 5334502

Akos003235049

Structural Information

Molecular Formula
C13H11ClN2O2
SMILES
C/C(=N\NC(=O)C1=CC=CO1)/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H11ClN2O2/c1-9(10-4-6-11(14)7-5-10)15-16-13(17)12-3-2-8-18-12/h2-8H,1H3,(H,16,17)/b15-9+
InChIKey
KUVFQHDISJLNHJ-OQLLNIDSSA-N
Compound name
N-[(E)-1-(4-chlorophenyl)ethylideneamino]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05818 160.2
[M+Na]+ 285.04012 167.7
[M-H]- 261.04362 169.1
[M+NH4]+ 280.08472 177.9
[M+K]+ 301.01406 164.8
[M+H-H2O]+ 245.04816 153.4
[M+HCOO]- 307.04910 182.5
[M+CH3COO]- 321.06475 199.0
[M+Na-2H]- 283.02557 164.4
[M]+ 262.05035 163.4
[M]- 262.05145 163.4
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.