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	154.8
[M+Na]+	270.12130	162.4
[M-H]-	246.12480	156.7
[M+NH4]+	265.16590	172.4
[M+K]+	286.09524	158.3
[M+H-H2O]+	230.12934	147.6
[M+HCOO]-	292.13028	178.4
[M+CH3COO]-	306.14593	195.7
[M+Na-2H]-	268.10675	159.5
[M]+	247.13153	155.6
[M]-	247.13263	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe