CID 11367765

Unii-99zu20f21v

Structural Information

Molecular Formula

C₁₁H₁₇N₃O

SMILES

CC1=C(C(=O)N2CCCCC2=N1)CCN

InChI

InChI=1S/C11H17N3O/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8/h2-7,12H2,1H3

InChIKey

WZDSIRHXMBFLSN-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 207.13716 Da
Monoisotopic Mass: -0.4
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]+	208.14444	146.2
[M+Na]+	230.12638	158.6
[M+NH4]+	225.17098	154.1
[M+K]+	246.10032	152.0
[M-H]-	206.12988	148.1
[M+Na-2H]-	228.11183	151.2
[M]+	207.13661	148.3
[M]-	207.13771	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe