CID 17334087

883545-72-0

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)CN

InChI

InChI=1S/C13H11N3O/c14-8-9-3-5-10(6-4-9)13-16-12-11(17-13)2-1-7-15-12/h1-7H,8,14H2

InChIKey

SFGUNZSVPBOFNU-UHFFFAOYSA-N

Compound name

[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 225.09021 Da
Monoisotopic Mass: 1.5
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]+	226.09749	147.3
[M+Na]+	248.07943	158.0
[M-H]-	224.08293	153.4
[M+NH4]+	243.12403	163.9
[M+K]+	264.05337	154.2
[M+H-H2O]+	208.08747	138.9
[M+HCOO]-	270.08841	171.1
[M+CH3COO]-	284.10406	160.8
[M+Na-2H]-	246.06488	155.9
[M]+	225.08966	149.2
[M]-	225.09076	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe