CID 3009363

256461-28-6

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

C1=CC=C(C=C1)CCC(CO)N2C=C(N=C2)C(=O)N

InChI

InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)

InChIKey

ZUYUIKKHHBEVHL-UHFFFAOYSA-N

Compound name

1-(1-hydroxy-4-phenylbutan-2-yl)imidazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 15
Patents: 259.13208 Da
Monoisotopic Mass: 0.8
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]+	260.13936	160.6
[M+Na]+	282.12130	170.6
[M+NH4]+	277.16590	166.5
[M+K]+	298.09524	167.5
[M-H]-	258.12480	161.9
[M+Na-2H]-	280.10675	166.1
[M]+	259.13153	162.0
[M]-	259.13263	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe