CID 1105529

Mls000555418

Structural Information

Molecular Formula

C₂₃H₂₁N₃O₃

SMILES

C1=CC=C(C=C1)CC(=O)NN=CC2=CC=C(C=C2)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3/c27-22(15-18-7-3-1-4-8-18)26-24-16-19-11-13-21(14-12-19)29-17-23(28)25-20-9-5-2-6-10-20/h1-14,16H,15,17H2,(H,25,28)(H,26,27)

InChIKey

VNPQRZXQZXJSNF-UHFFFAOYSA-N

Compound name

N-[[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 387.1583 Da
Monoisotopic Mass: 3.6
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]+	388.165576	192.1
[M+Na]+	410.147518	194.7
[M-H]-	386.151024	201.9
[M+NH4]+	405.192123	201.8
[M+K]+	426.121458	190.3
[M+H-H2O]+	370.155560	180.7
[M+HCOO]-	432.156501	218.2
[M+CH3COO]-	446.172151	227.2
[M+Na-2H]-	408.132966	196.7
[M]+	387.15775142	192.2
[M]-	387.15884858	192.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.