CID 115832

Chinoin 105

Structural Information

Molecular Formula

C₁₁H₁₅N₃O₂

SMILES

CC1CCC=C2N1C(=O)C(=CN2C)C(=O)N

InChI

InChI=1S/C11H15N3O2/c1-7-4-3-5-9-13(2)6-8(10(12)15)11(16)14(7)9/h5-7H,3-4H2,1-2H3,(H2,12,15)

InChIKey

OVTCEDCBXAYKQZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 221.11642 Da
Monoisotopic Mass: 0.8
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]+	222.123696	149.9
[M+Na]+	244.105638	157.9
[M-H]-	220.109144	151.2
[M+NH4]+	239.150243	166.5
[M+K]+	260.079578	155.0
[M+H-H2O]+	204.113680	142.5
[M+HCOO]-	266.114621	166.8
[M+CH3COO]-	280.130271	193.6
[M+Na-2H]-	242.091086	152.6
[M]+	221.11587142	146.7
[M]-	221.11696858	146.7

Literature stripe

literature stripe

Patent stripe

patents stripe