CID 10473552

151012-31-6

Structural Information

Molecular Formula

C₁₅H₁₈BrClN₂O

SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)Br)CO)Cl

InChI

InChI=1S/C15H18BrClN2O/c1-2-3-4-14-18-15(17)13(10-20)19(14)9-11-5-7-12(16)8-6-11/h5-8,20H,2-4,9-10H2,1H3

InChIKey

LOSZLEJFCKVKOK-UHFFFAOYSA-N

Compound name

[3-[(4-bromophenyl)methyl]-2-butyl-5-chloroimidazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 356.0291 Da
Monoisotopic Mass: 4.1
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]+	357.03638	180.2
[M+Na]+	379.01832	184.8
[M+NH4]+	374.06292	184.1
[M+K]+	394.99226	183.8
[M-H]-	355.02182	181.0
[M+Na-2H]-	377.00377	182.7
[M]+	356.02855	180.2
[M]-	356.02965	180.2

Literature stripe

literature stripe

Patent stripe

patents stripe