CID 511930

Schembl6180133

Structural Information

Molecular Formula

C₁₈H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=NC=C(C=C3)N

InChI

InChI=1S/C18H14N2O2/c19-15-8-11-17(20-12-15)22-16-9-6-14(7-10-16)18(21)13-4-2-1-3-5-13/h1-12H,19H2

InChIKey

DJDXQEFMVOZLDN-UHFFFAOYSA-N

Compound name

[4-[(5-amino-2-pyridinyl)oxy]phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 10
Patents: 290.10553 Da
Monoisotopic Mass: 3.4
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]+	291.112806	166.9
[M+Na]+	313.094748	173.8
[M-H]-	289.098254	174.8
[M+NH4]+	308.139353	179.6
[M+K]+	329.068688	168.7
[M+H-H2O]+	273.102790	156.8
[M+HCOO]-	335.103731	189.8
[M+CH3COO]-	349.119381	178.0
[M+Na-2H]-	311.080196	172.2
[M]+	290.10498142	165.7
[M]-	290.10607858	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe