CID 6509996

4h-1-benzopyran-4-one, 2,3-dihydro-2-(4-methoxyphenyl)-, o-(2-(diethylamino)ethyl)oxime

Structural Information

Molecular Formula

C₂₂H₂₈N₂O₃

SMILES

CCN(CC)CCO/N=C\1/CC(OC2=CC=CC=C12)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H28N2O3/c1-4-24(5-2)14-15-26-23-20-16-22(17-10-12-18(25-3)13-11-17)27-21-9-7-6-8-19(20)21/h6-13,22H,4-5,14-16H2,1-3H3/b23-20-

InChIKey

AWVZVRSNJDHHGY-ATJXCDBQSA-N

Compound name

N,N-diethyl-2-[(Z)-[2-(4-methoxyphenyl)-2,3-dihydrochromen-4-ylidene]amino]oxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 368.21 Da
Monoisotopic Mass: 4.2
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]+	369.217276	191.3
[M+Na]+	391.199218	195.4
[M-H]-	367.202724	200.9
[M+NH4]+	386.243823	203.7
[M+K]+	407.173158	193.9
[M+H-H2O]+	351.207260	180.9
[M+HCOO]-	413.208201	213.6
[M+CH3COO]-	427.223851	228.3
[M+Na-2H]-	389.184666	195.3
[M]+	368.20945142	195.7
[M]-	368.21054858	195.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.