CID 99417

4849-31-4

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₃

SMILES

CC(C)CNC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C

InChI

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

InChIKey

BFXLQAXFPODEJD-UHFFFAOYSA-N

Compound name

[3-(dimethylcarbamoylamino)phenyl] N-(2-methylpropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 279.1583 Da
Monoisotopic Mass: 2.0
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]+	280.165576	167.7
[M+Na]+	302.147518	171.2
[M-H]-	278.151024	172.3
[M+NH4]+	297.192123	183.3
[M+K]+	318.121458	171.7
[M+H-H2O]+	262.155560	159.7
[M+HCOO]-	324.156501	192.2
[M+CH3COO]-	338.172151	210.5
[M+Na-2H]-	300.132966	168.9
[M]+	279.15775142	169.4
[M]-	279.15884858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe