CID 199635

Brn 2814268

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₃

SMILES

CC(C)OC1=CC=C(C=C1)NC(=O)NC(=O)CN(C)C

InChI

InChI=1S/C14H21N3O3/c1-10(2)20-12-7-5-11(6-8-12)15-14(19)16-13(18)9-17(3)4/h5-8,10H,9H2,1-4H3,(H2,15,16,18,19)

InChIKey

MKRLPURBQMFDTP-UHFFFAOYSA-N

Compound name

2-(dimethylamino)-N-[(4-propan-2-yloxyphenyl)carbamoyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.1583 Da
Monoisotopic Mass: 2.1
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]+	280.165576	167.4
[M+Na]+	302.147518	170.9
[M-H]-	278.151024	172.0
[M+NH4]+	297.192123	182.9
[M+K]+	318.121458	171.3
[M+H-H2O]+	262.155560	159.4
[M+HCOO]-	324.156501	191.9
[M+CH3COO]-	338.172151	211.2
[M+Na-2H]-	300.132966	168.6
[M]+	279.15775142	169.2
[M]-	279.15884858	169.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.