CID 99433

73953-78-3

Structural Information

Molecular Formula

C₁₃H₁₉N₃O₃

SMILES

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

InChI

InChI=1S/C13H19N3O3/c1-4-16(5-2)12(17)15-10-7-6-8-11(9-10)19-13(18)14-3/h6-9H,4-5H2,1-3H3,(H,14,18)(H,15,17)

InChIKey

QSWSYADDIWXVHE-UHFFFAOYSA-N

Compound name

[3-(diethylcarbamoylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.14264 Da
Monoisotopic Mass: 1.4
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]+	266.149916	162.6
[M+Na]+	288.131858	166.8
[M-H]-	264.135364	167.3
[M+NH4]+	283.176463	178.8
[M+K]+	304.105798	166.9
[M+H-H2O]+	248.139900	154.6
[M+HCOO]-	310.140841	188.4
[M+CH3COO]-	324.156491	206.5
[M+Na-2H]-	286.117306	165.6
[M]+	265.14209142	164.5
[M]-	265.14318858	164.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe