CID 5748077

Brn 4199731

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)/C=C(/C4=CC=CC=C4)\O

InChI

InChI=1S/C20H23NO3/c22-17(16-4-2-1-3-5-16)9-18(23)19(24)21-20-10-13-6-14(11-20)8-15(7-13)12-20/h1-5,9,13-15,22H,6-8,10-12H2,(H,21,24)/b17-9-

InChIKey

GRCGALLUQWVLOK-MFOYZWKCSA-N

Compound name

(Z)-N-(1-adamantyl)-4-hydroxy-2-oxo-4-phenylbut-3-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 4.2
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]+	326.175076	174.2
[M+Na]+	348.157018	172.6
[M-H]-	324.160524	169.9
[M+NH4]+	343.201623	193.0
[M+K]+	364.130958	168.6
[M+H-H2O]+	308.165060	166.6
[M+HCOO]-	370.166001	177.6
[M+CH3COO]-	384.181651	179.5
[M+Na-2H]-	346.142466	181.3
[M]+	325.16725142	171.6
[M]-	325.16834858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.