CID 16656030

181525-38-2

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

CC1=C(C(=O)N2C=CC=C(C2=N1)O)CCO

InChI

InChI=1S/C11H12N2O3/c1-7-8(4-6-14)11(16)13-5-2-3-9(15)10(13)12-7/h2-3,5,14-15H,4,6H2,1H3

InChIKey

GNJWAVGJDQQQSS-UHFFFAOYSA-N

Compound name

9-hydroxy-3-(2-hydroxyethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 42
Patents: 220.0848 Da
Monoisotopic Mass: -0.1
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]+	221.09208	146.6
[M+Na]+	243.07402	157.6
[M-H]-	219.07752	146.8
[M+NH4]+	238.11862	162.8
[M+K]+	259.04796	153.3
[M+H-H2O]+	203.08206	139.7
[M+HCOO]-	265.08300	165.5
[M+CH3COO]-	279.09865	185.3
[M+Na-2H]-	241.05947	153.2
[M]+	220.08425	148.5
[M]-	220.08535	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe