CID 5402131

N-[(z)-1-(4-chlorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

Structural Information

Molecular Formula

C₁₅H₁₅ClN₂O₂

SMILES

CC1=CC(=C(O1)C)C(=O)N/N=C(\C)/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H15ClN2O2/c1-9-8-14(11(3)20-9)15(19)18-17-10(2)12-4-6-13(16)7-5-12/h4-8H,1-3H3,(H,18,19)/b17-10+

InChIKey

GBOVFSNPNJNTQN-LICLKQGHSA-N

Compound name

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2,5-dimethylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 290.0822 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.089476	169.5
[M+Na]+	313.071418	178.0
[M-H]-	289.074924	178.8
[M+NH4]+	308.116023	186.8
[M+K]+	329.045358	174.6
[M+H-H2O]+	273.079460	162.9
[M+HCOO]-	335.080401	191.1
[M+CH3COO]-	349.096051	207.4
[M+Na-2H]-	311.056866	171.3
[M]+	290.08165142	174.2
[M]-	290.08274858	174.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.