CID 199922

Glycyl-5-methoxytryptamine acetate

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=O)CN

InChI

InChI=1S/C13H17N3O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7,14H2,1H3,(H,15,17)

InChIKey

MSJUPJNPMFDFHJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.13208 Da
Monoisotopic Mass: -0.1
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]+	248.13936	155.9
[M+Na]+	270.12130	165.6
[M+NH4]+	265.16590	162.5
[M+K]+	286.09524	162.0
[M-H]-	246.12480	157.0
[M+Na-2H]-	268.10675	160.0
[M]+	247.13153	157.2
[M]-	247.13263	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe