CID 99429

17795-80-1

Structural Information

Molecular Formula

C₁₈H₂₈N₂O₃

SMILES

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

InChI

InChI=1S/C18H28N2O3/c1-7-11-18(5,6)15(21)19-13-9-8-10-14(12-13)23-16(22)20-17(2,3)4/h8-10,12H,7,11H2,1-6H3,(H,19,21)(H,20,22)

InChIKey

PNJZAJBZQHXCMJ-UHFFFAOYSA-N

Compound name

[3-(2,2-dimethylpentanoylamino)phenyl] N-tert-butylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 320.21 Da
Monoisotopic Mass: 3.9
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]+	321.217276	179.4
[M+Na]+	343.199218	183.1
[M-H]-	319.202724	182.5
[M+NH4]+	338.243823	193.4
[M+K]+	359.173158	181.7
[M+H-H2O]+	303.207260	172.7
[M+HCOO]-	365.208201	199.0
[M+CH3COO]-	379.223851	213.8
[M+Na-2H]-	341.184666	182.3
[M]+	320.20945142	181.8
[M]-	320.21054858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe