CID 310643

2,6-diisopropylphenyl n-phenylcarbamate

Structural Information

Molecular Formula

C₁₉H₂₃NO₂

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C19H23NO2/c1-13(2)16-11-8-12-17(14(3)4)18(16)22-19(21)20-15-9-6-5-7-10-15/h5-14H,1-4H3,(H,20,21)

InChIKey

BPBCNVXENJAOQN-UHFFFAOYSA-N

Compound name

[2,6-di(propan-2-yl)phenyl] N-phenylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 297.17288 Da
Monoisotopic Mass: 5.3
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]+	298.180156	172.9
[M+Na]+	320.162098	177.8
[M-H]-	296.165604	179.3
[M+NH4]+	315.206703	187.7
[M+K]+	336.136038	174.9
[M+H-H2O]+	280.170140	164.8
[M+HCOO]-	342.171081	194.3
[M+CH3COO]-	356.186731	208.7
[M+Na-2H]-	318.147546	173.6
[M]+	297.17233142	174.0
[M]-	297.17342858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe