CID 55390

Pirmagrel

Structural Information

Molecular Formula

C₁₃H₁₆N₂O₂

SMILES

C1=CC2=CN=CN2C(=C1)CCCCCC(=O)O

InChI

InChI=1S/C13H16N2O2/c16-13(17)8-3-1-2-5-11-6-4-7-12-9-14-10-15(11)12/h4,6-7,9-10H,1-3,5,8H2,(H,16,17)

InChIKey

LIFOFTJHFFTNRV-UHFFFAOYSA-N

Compound name

6-imidazo[1,5-a]pyridin-5-ylhexanoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 65
References: 432
Patents: 232.12119 Da
Monoisotopic Mass: 2.9
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]+	233.12847	152.5
[M+Na]+	255.11041	160.9
[M-H]-	231.11391	153.0
[M+NH4]+	250.15501	169.9
[M+K]+	271.08435	157.0
[M+H-H2O]+	215.11845	144.9
[M+HCOO]-	277.11939	173.3
[M+CH3COO]-	291.13504	188.4
[M+Na-2H]-	253.09586	157.7
[M]+	232.12064	155.8
[M]-	232.12174	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe