CID 2444

Bromazine

Structural Information

Molecular Formula

C₁₇H₂₀BrNO

SMILES

CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3

InChIKey

NUNIWXHYABYXKF-UHFFFAOYSA-N

Compound name

2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 26
References: 3809
Patents: 333.0728 Da
Monoisotopic Mass: 4.0
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]+	334.080076	172.8
[M+Na]+	356.062018	180.7
[M-H]-	332.065524	182.3
[M+NH4]+	351.106623	190.2
[M+K]+	372.035958	169.9
[M+H-H2O]+	316.070060	170.4
[M+HCOO]-	378.071001	194.1
[M+CH3COO]-	392.086651	211.7
[M+Na-2H]-	354.047466	177.5
[M]+	333.07225142	193.0
[M]-	333.07334858	193.0

Literature stripe

literature stripe

Patent stripe

patents stripe