CID 459096

2-(1h-indol-3-ylmethyl)propanediamide

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)N)C(=O)N

InChI

InChI=1S/C12H13N3O2/c13-11(16)9(12(14)17)5-7-6-15-10-4-2-1-3-8(7)10/h1-4,6,9,15H,5H2,(H2,13,16)(H2,14,17)

InChIKey

GFOWQANQLXTSJL-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-ylmethyl)propanediamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.10077 Da
Monoisotopic Mass: 0.5
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]+	232.108046	150.7
[M+Na]+	254.089988	157.4
[M-H]-	230.093494	152.1
[M+NH4]+	249.134593	168.0
[M+K]+	270.063928	153.8
[M+H-H2O]+	214.098030	143.8
[M+HCOO]-	276.098971	172.2
[M+CH3COO]-	290.114621	192.7
[M+Na-2H]-	252.075436	153.2
[M]+	231.10022142	147.9
[M]-	231.10131858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.