CID 126731

142959-59-9

Structural Information

Molecular Formula

C₁₃H₁₅BrN₂O₂

SMILES

CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)Br

InChI

InChI=1S/C13H15BrN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)

InChIKey

FNHLXIXCQDGUCQ-UHFFFAOYSA-N

Compound name

N-[2-(2-bromo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 97
Patents: 310.03168 Da
Monoisotopic Mass: 2.6
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]+	311.038956	163.3
[M+Na]+	333.020898	175.3
[M-H]-	309.024404	168.5
[M+NH4]+	328.065503	182.8
[M+K]+	348.994838	163.0
[M+H-H2O]+	293.028940	162.3
[M+HCOO]-	355.029881	183.8
[M+CH3COO]-	369.045531	201.5
[M+Na-2H]-	331.006346	168.4
[M]+	310.03113142	184.4
[M]-	310.03222858	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe