CID 2808909

Maybridge1_003861

Structural Information

Molecular Formula

C₁₃H₁₅N₃O

SMILES

CN1C(=CC=N1)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O/c1-16-12(9-10-14-16)15-13(17)8-7-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,15,17)

InChIKey

RDRCUEVWULSLKN-UHFFFAOYSA-N

Compound name

N-(2-methylpyrazol-3-yl)-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 229.1215 Da
Monoisotopic Mass: 1.6
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]+	230.128776	151.9
[M+Na]+	252.110718	158.9
[M-H]-	228.114224	156.0
[M+NH4]+	247.155323	168.5
[M+K]+	268.084658	155.5
[M+H-H2O]+	212.118760	143.0
[M+HCOO]-	274.119701	175.3
[M+CH3COO]-	288.135351	191.6
[M+Na-2H]-	250.096166	156.5
[M]+	229.12095142	152.1
[M]-	229.12204858	152.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.