CID 4962524

1-(adamantan-1-yl)-3-(prop-2-enoyl)urea

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂

SMILES

C=CC(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C14H20N2O2/c1-2-12(17)15-13(18)16-14-6-9-3-10(7-14)5-11(4-9)8-14/h2,9-11H,1,3-8H2,(H2,15,16,17,18)

InChIKey

GKDKFXVMKPBZDI-UHFFFAOYSA-N

Compound name

N-(1-adamantylcarbamoyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 248.15248 Da
Monoisotopic Mass: 3.0
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]+	249.159756	155.8
[M+Na]+	271.141698	156.0
[M-H]-	247.145204	150.3
[M+NH4]+	266.186303	179.0
[M+K]+	287.115638	153.3
[M+H-H2O]+	231.149740	150.1
[M+HCOO]-	293.150681	163.2
[M+CH3COO]-	307.166331	163.2
[M+Na-2H]-	269.127146	165.5
[M]+	248.15193142	154.0
[M]-	248.15302858	154.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.