CID 817866

41078-70-0

Structural Information

Molecular Formula

C₁₁H₁₁ClN₂O

SMILES

CC1=C(C(=O)N2C=CC=CC2=N1)CCCl

InChI

InChI=1S/C11H11ClN2O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-4,7H,5-6H2,1H3

InChIKey

LFTGLYCNMGGMKL-UHFFFAOYSA-N

Compound name

3-(2-chloroethyl)-2-methylpyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 174
Patents: 222.05598 Da
Monoisotopic Mass: 1.3
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]+	223.06326	144.6
[M+Na]+	245.04520	156.5
[M-H]-	221.04870	146.8
[M+NH4]+	240.08980	162.9
[M+K]+	261.01914	151.1
[M+H-H2O]+	205.05324	137.7
[M+HCOO]-	267.05418	161.5
[M+CH3COO]-	281.06983	188.6
[M+Na-2H]-	243.03065	152.4
[M]+	222.05543	148.8
[M]-	222.05653	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe