CID 417651

17315-76-3

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

C1=CC=C(C=C1)NC=CC=C(C=NC2=CC=CC=C2)O

InChI

InChI=1S/C17H16N2O/c20-17(14-19-16-10-5-2-6-11-16)12-7-13-18-15-8-3-1-4-9-15/h1-14,18,20H

InChIKey

AODMFXLIWQBNQE-UHFFFAOYSA-N

Compound name

5-anilino-1-phenyliminopenta-2,4-dien-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 264.12625 Da
Monoisotopic Mass: 3.8
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]+	265.13353	161.9
[M+Na]+	287.11547	166.2
[M-H]-	263.11897	167.7
[M+NH4]+	282.16007	177.1
[M+K]+	303.08941	160.7
[M+H-H2O]+	247.12351	153.4
[M+HCOO]-	309.12445	187.1
[M+CH3COO]-	323.14010	199.3
[M+Na-2H]-	285.10092	167.9
[M]+	264.12570	159.0
[M]-	264.12680	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.