CID 440743

Formyl-5-hydroxykynurenamine

Structural Information

Molecular Formula

C₁₀H₁₂N₂O₃

SMILES

C1=CC(=C(C=C1O)C(=O)CCN)NC=O

InChI

InChI=1S/C10H12N2O3/c11-4-3-10(15)8-5-7(14)1-2-9(8)12-6-13/h1-2,5-6,14H,3-4,11H2,(H,12,13)

InChIKey

CKAXPTWYSHDIBN-UHFFFAOYSA-N

Compound name

N-[2-(3-aminopropanoyl)-4-hydroxyphenyl]formamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 81
Patents: 208.0848 Da
Monoisotopic Mass: 0.0
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]+	209.09208	145.1
[M+Na]+	231.07402	154.4
[M+NH4]+	226.11862	151.1
[M+K]+	247.04796	150.1
[M-H]-	207.07752	146.0
[M+Na-2H]-	229.05947	149.4
[M]+	208.08425	146.2
[M]-	208.08535	146.2

Literature stripe

literature stripe

Patent stripe

patents stripe