CID 155639

Chinoin 127

Structural Information

Molecular Formula

C₁₁H₁₇N₃O₂

SMILES

CC1CCCC2N1C(=O)C(=CN2C)C(=O)N

InChI

InChI=1S/C11H17N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h6-7,9H,3-5H2,1-2H3,(H2,12,15)

InChIKey

PDYZVPFJLHCRGG-UHFFFAOYSA-N

Compound name

1,6-dimethyl-4-oxo-7,8,9,9a-tetrahydro-6H-pyrido[1,2-a]pyrimidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 409
Patents: 223.13208 Da
Monoisotopic Mass: 0.9
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]+	224.13936	150.9
[M+Na]+	246.12130	161.0
[M+NH4]+	241.16590	157.7
[M+K]+	262.09524	156.3
[M-H]-	222.12480	151.5
[M+Na-2H]-	244.10675	152.9
[M]+	223.13153	152.1
[M]-	223.13263	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe