CID 99432

M-(3,3-diethylureido)phenyl dimethylcarbamate

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₃

SMILES

CCN(CC)C(=O)NC1=CC(=CC=C1)OC(=O)N(C)C

InChI

InChI=1S/C14H21N3O3/c1-5-17(6-2)13(18)15-11-8-7-9-12(10-11)20-14(19)16(3)4/h7-10H,5-6H2,1-4H3,(H,15,18)

InChIKey

PCKYSMLEOVJUKB-UHFFFAOYSA-N

Compound name

[3-(diethylcarbamoylamino)phenyl] N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 279.1583 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]+	280.165576	167.4
[M+Na]+	302.147518	171.4
[M-H]-	278.151024	173.5
[M+NH4]+	297.192123	183.7
[M+K]+	318.121458	172.7
[M+H-H2O]+	262.155560	159.2
[M+HCOO]-	324.156501	193.5
[M+CH3COO]-	338.172151	212.9
[M+Na-2H]-	300.132966	169.2
[M]+	279.15775142	171.0
[M]-	279.15884858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.