CID 16640736

84946-18-9

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC1=CN2C(=NC(=C(C2=O)CCO)C)C=C1

InChI

InChI=1S/C12H14N2O2/c1-8-3-4-11-13-9(2)10(5-6-15)12(16)14(11)7-8/h3-4,7,15H,5-6H2,1-2H3

InChIKey

LKDLUQYXKRFMNW-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyl)-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.10553 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]+	219.112806	147.5
[M+Na]+	241.094748	158.6
[M-H]-	217.098254	148.9
[M+NH4]+	236.139353	164.6
[M+K]+	257.068688	154.4
[M+H-H2O]+	201.102790	140.3
[M+HCOO]-	263.103731	167.4
[M+CH3COO]-	277.119381	188.6
[M+Na-2H]-	239.080196	154.0
[M]+	218.10498142	150.2
[M]-	218.10607858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.