CID 218258

Verbindungen 333 [german]

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

CN1C=C(N=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C17H16N2O/c1-19-11-17(18-13-19)15-7-9-16(10-8-15)20-12-14-5-3-2-4-6-14/h2-11,13H,12H2,1H3

InChIKey

QREBDEBQNVOXGD-UHFFFAOYSA-N

Compound name

1-methyl-4-(4-phenylmethoxyphenyl)imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 264.12625 Da
Monoisotopic Mass: 3.1
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]+	265.133526	160.6
[M+Na]+	287.115468	169.0
[M-H]-	263.118974	168.0
[M+NH4]+	282.160073	175.9
[M+K]+	303.089408	164.0
[M+H-H2O]+	247.123510	150.8
[M+HCOO]-	309.124451	183.7
[M+CH3COO]-	323.140101	172.9
[M+Na-2H]-	285.100916	165.3
[M]+	264.12570142	162.0
[M]-	264.12679858	162.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe