CID 23658966

Schembl652753

Structural Information

Molecular Formula

C₁₃H₁₇N₃O

SMILES

CC(C)C1=NN2C=CC=CC2=C1C(=O)C(C)N

InChI

InChI=1S/C13H17N3O/c1-8(2)12-11(13(17)9(3)14)10-6-4-5-7-16(10)15-12/h4-9H,14H2,1-3H3

InChIKey

JLKPIOQFGACSJO-UHFFFAOYSA-N

Compound name

2-amino-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 13
Patents: 231.13716 Da
Monoisotopic Mass: 1.4
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]+	232.14444	152.5
[M+Na]+	254.12638	163.7
[M+NH4]+	249.17098	159.5
[M+K]+	270.10032	160.7
[M-H]-	230.12988	153.3
[M+Na-2H]-	252.11183	156.9
[M]+	231.13661	154.0
[M]-	231.13771	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe