CID 135643715

Mls000912278

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

CC1=C(C=CO1)C(=O)N/N=C(\C)/C2=CC=CC=C2O

InChI

InChI=1S/C14H14N2O3/c1-9(11-5-3-4-6-13(11)17)15-16-14(18)12-7-8-19-10(12)2/h3-8,17H,1-2H3,(H,16,18)/b15-9+

InChIKey

FYOSVRCALVWUKM-OQLLNIDSSA-N

Compound name

N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylfuran-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 3
Patents: 258.10043 Da
Monoisotopic Mass: 2.2
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]+	259.10771	159.1
[M+Na]+	281.08965	165.7
[M-H]-	257.09315	167.1
[M+NH4]+	276.13425	175.7
[M+K]+	297.06359	164.4
[M+H-H2O]+	241.09769	151.8
[M+HCOO]-	303.09863	184.4
[M+CH3COO]-	317.11428	199.2
[M+Na-2H]-	279.07510	162.5
[M]+	258.09988	160.4
[M]-	258.10098	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe