CID 9574489

Akos024328809

Structural Information

Molecular Formula

C₁₈H₁₈N₂O₃

SMILES

CC(C(=O)N/N=C/1\CCOC2=CC=CC=C12)OC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3/c1-13(23-14-7-3-2-4-8-14)18(21)20-19-16-11-12-22-17-10-6-5-9-15(16)17/h2-10,13H,11-12H2,1H3,(H,20,21)/b19-16+

InChIKey

TYXINDVLMGYACC-KNTRCKAVSA-N

Compound name

N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-phenoxypropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 310.13174 Da
Monoisotopic Mass: 3.3
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]+	311.139016	171.0
[M+Na]+	333.120958	174.7
[M-H]-	309.124464	179.4
[M+NH4]+	328.165563	184.5
[M+K]+	349.094898	173.1
[M+H-H2O]+	293.129000	161.7
[M+HCOO]-	355.129941	192.5
[M+CH3COO]-	369.145591	211.2
[M+Na-2H]-	331.106406	177.2
[M]+	310.13119142	170.2
[M]-	310.13228858	170.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.