CID 6451680

41078-68-6

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CC1=CC2=NC(=C(C(=O)N2C=C1)CCO)C

InChI

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

InChIKey

RCYCYRNOSOZWAZ-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyl)-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
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

patents stripe