CID 242957

3-butyl-3,4-dihydro-2h-pyrido-(1,2-a)pyrimidine-2,4-dione

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCCCC1C(=O)N=C2C=CC=CN2C1=O

InChI

InChI=1S/C12H14N2O2/c1-2-3-6-9-11(15)13-10-7-4-5-8-14(10)12(9)16/h4-5,7-9H,2-3,6H2,1H3

InChIKey

XFGGIHHAECLGKY-UHFFFAOYSA-N

Compound name

3-butylpyrido[1,2-a]pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 218.10553 Da
Monoisotopic Mass: 1.9
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	148.0
[M+Na]+	241.094748	156.8
[M-H]-	217.098254	149.6
[M+NH4]+	236.139353	165.2
[M+K]+	257.068688	153.4
[M+H-H2O]+	201.102790	140.3
[M+HCOO]-	263.103731	166.7
[M+CH3COO]-	277.119381	189.7
[M+Na-2H]-	239.080196	153.8
[M]+	218.10498142	148.5
[M]-	218.10607858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.