CID 1501838

885955-96-4

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)NC1=NC=C(N1)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)17-12-15-9-11(16-12)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,15,16,17,18)

InChIKey

VASFTMPTJTULSD-UHFFFAOYSA-N

Compound name

tert-butyl N-(5-phenyl-1H-imidazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 259.13208 Da
Monoisotopic Mass: 2.6
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]+	260.139356	160.8
[M+Na]+	282.121298	167.4
[M-H]-	258.124804	164.0
[M+NH4]+	277.165903	175.8
[M+K]+	298.095238	164.1
[M+H-H2O]+	242.129340	152.8
[M+HCOO]-	304.130281	181.0
[M+CH3COO]-	318.145931	193.2
[M+Na-2H]-	280.106746	165.4
[M]+	259.13153142	160.3
[M]-	259.13262858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.