CID 206016

73932-55-5

Structural Information

Molecular Formula

C₁₅H₁₉BrN₂O

SMILES

CC1=C(C(=C(C(=C1C(CN2C=CN=C2)O)C)C)Br)C

InChI

InChI=1S/C15H19BrN2O/c1-9-11(3)15(16)12(4)10(2)14(9)13(19)7-18-6-5-17-8-18/h5-6,8,13,19H,7H2,1-4H3

InChIKey

YEBGGVIFUPJPGG-UHFFFAOYSA-N

Compound name

1-(4-bromo-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.06808 Da
Monoisotopic Mass: 2.9
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]+	323.075356	168.1
[M+Na]+	345.057298	180.9
[M-H]-	321.060804	174.6
[M+NH4]+	340.101903	185.8
[M+K]+	361.031238	168.5
[M+H-H2O]+	305.065340	166.9
[M+HCOO]-	367.066281	185.8
[M+CH3COO]-	381.081931	205.3
[M+Na-2H]-	343.042746	169.1
[M]+	322.06753142	188.8
[M]-	322.06862858	188.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.