CID 201927

7127-05-1

Structural Information

Molecular Formula

C₁₅H₁₈N₂O₂

SMILES

CC(C)OC(=O)C1=CN=CN1C(C)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2/c1-11(2)19-15(18)14-9-16-10-17(14)12(3)13-7-5-4-6-8-13/h4-12H,1-3H3

InChIKey

SEKLTEXFLCQQIM-UHFFFAOYSA-N

Compound name

propan-2-yl 3-(1-phenylethyl)imidazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 1
Patents: 258.13684 Da
Monoisotopic Mass: 3.5
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]+	259.144116	160.5
[M+Na]+	281.126058	166.9
[M-H]-	257.129564	164.6
[M+NH4]+	276.170663	176.1
[M+K]+	297.099998	164.7
[M+H-H2O]+	241.134100	151.8
[M+HCOO]-	303.135041	180.4
[M+CH3COO]-	317.150691	196.5
[M+Na-2H]-	279.111506	161.2
[M]+	258.13629142	162.4
[M]-	258.13738858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe