CID 1809

5-carboxamidotryptamine

Structural Information

Molecular Formula

C₁₁H₁₃N₃O

SMILES

C1=CC2=C(C=C1C(=O)N)C(=CN2)CCN

InChI

InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)

InChIKey

WKZLNEWVIAGNAW-UHFFFAOYSA-N

Compound name

3-(2-aminoethyl)-1H-indole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 456
References: 717
Patents: 203.10587 Da
Monoisotopic Mass: -0.6
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]+	204.11315	143.4
[M+Na]+	226.09509	153.8
[M+NH4]+	221.13969	150.9
[M+K]+	242.06903	150.4
[M-H]-	202.09859	145.1
[M+Na-2H]-	224.08054	148.2
[M]+	203.10532	145.0
[M]-	203.10642	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe