CID 99807

17788-19-1

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃

SMILES

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

InChI

InChI=1S/C16H24N2O3/c1-5-7-12(4)15(19)18-13-8-6-9-14(10-13)21-16(20)17-11(2)3/h6,8-12H,5,7H2,1-4H3,(H,17,20)(H,18,19)

InChIKey

PLUKFZFGHUOEJW-UHFFFAOYSA-N

Compound name

[3-(2-methylpentanoylamino)phenyl] N-propan-2-ylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 292.17868 Da
Monoisotopic Mass: 3.4
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]+	293.185956	172.9
[M+Na]+	315.167898	176.0
[M-H]-	291.171404	175.8
[M+NH4]+	310.212503	187.6
[M+K]+	331.141838	175.0
[M+H-H2O]+	275.175940	165.3
[M+HCOO]-	337.176881	194.2
[M+CH3COO]-	351.192531	209.5
[M+Na-2H]-	313.153346	172.2
[M]+	292.17813142	174.3
[M]-	292.17922858	174.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe