CID 200046

Beta-alanyl-5-methoxytryptamine acetate

Structural Information

Molecular Formula

C₁₄H₁₉N₃O₂

SMILES

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

InChI

InChI=1S/C14H19N3O2/c1-19-11-2-3-13-12(8-11)10(9-17-13)5-7-16-14(18)4-6-15/h2-3,8-9,17H,4-7,15H2,1H3,(H,16,18)

InChIKey

RSYHUVCWCRDAAC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.14774 Da
Monoisotopic Mass: -0.2
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]+	262.155016	159.3
[M+Na]+	284.136958	166.4
[M-H]-	260.140464	161.0
[M+NH4]+	279.181563	176.4
[M+K]+	300.110898	162.2
[M+H-H2O]+	244.145000	152.0
[M+HCOO]-	306.145941	182.6
[M+CH3COO]-	320.161591	198.8
[M+Na-2H]-	282.122406	163.5
[M]+	261.14719142	160.5
[M]-	261.14828858	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe