CID 4593

Olprinone

Structural Information

Molecular Formula

C₁₄H₁₀N₄O

SMILES

CC1=C(C=C(C(=O)N1)C#N)C2=CN3C=CN=C3C=C2

InChI

InChI=1S/C14H10N4O/c1-9-12(6-11(7-15)14(19)17-9)10-2-3-13-16-4-5-18(13)8-10/h2-6,8H,1H3,(H,17,19)

InChIKey

JPAWFIIYTJQOKW-UHFFFAOYSA-N

Compound name

5-imidazo[1,2-a]pyridin-6-yl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 190
References: 2905
Patents: 250.08546 Da
Monoisotopic Mass: 1.5
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]+	251.09274	158.3
[M+Na]+	273.07468	171.9
[M-H]-	249.07818	159.8
[M+NH4]+	268.11928	171.7
[M+K]+	289.04862	163.8
[M+H-H2O]+	233.08272	142.5
[M+HCOO]-	295.08366	175.3
[M+CH3COO]-	309.09931	168.8
[M+Na-2H]-	271.06013	162.8
[M]+	250.08491	154.3
[M]-	250.08601	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe