CID 185461

Binizolast

Structural Information

Molecular Formula

C₁₈H₂₃N₅O

SMILES

CCCN1C(=O)C2=CC=CC=C2N3C1=NN=C3CN4CCCCC4

InChI

InChI=1S/C18H23N5O/c1-2-10-22-17(24)14-8-4-5-9-15(14)23-16(19-20-18(22)23)13-21-11-6-3-7-12-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3

InChIKey

FFDDIHIPHFAQIN-UHFFFAOYSA-N

Compound name

1-(piperidin-1-ylmethyl)-4-propyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 37
Patents: 325.19025 Da
Monoisotopic Mass: 2.1
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]+	326.197526	181.3
[M+Na]+	348.179468	190.5
[M-H]-	324.182974	182.8
[M+NH4]+	343.224073	192.2
[M+K]+	364.153408	183.3
[M+H-H2O]+	308.187510	169.3
[M+HCOO]-	370.188451	194.9
[M+CH3COO]-	384.204101	190.1
[M+Na-2H]-	346.164916	184.4
[M]+	325.18970142	181.6
[M]-	325.19079858	181.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe