CID 28778

17798-17-3

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C14H20N2O3/c1-5-14(2,3)12(17)16-10-7-6-8-11(9-10)19-13(18)15-4/h6-9H,5H2,1-4H3,(H,15,18)(H,16,17)

InChIKey

OBURPQOXUFCSTC-UHFFFAOYSA-N

Compound name

[3-(2,2-dimethylbutanoylamino)phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 264.1474 Da
Monoisotopic Mass: 2.4
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]+	265.154676	162.3
[M+Na]+	287.136618	167.3
[M-H]-	263.140124	165.8
[M+NH4]+	282.181223	178.4
[M+K]+	303.110558	166.1
[M+H-H2O]+	247.144660	155.6
[M+HCOO]-	309.145601	184.8
[M+CH3COO]-	323.161251	202.0
[M+Na-2H]-	285.122066	166.2
[M]+	264.14685142	163.8
[M]-	264.14794858	163.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe