CID 364145

Nsc629815

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₂

SMILES

C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCO

InChI

InChI=1S/C14H13N3O2/c18-6-5-15-14(19)12-7-10-9-3-1-2-4-11(9)17-13(10)8-16-12/h1-4,7-8,17-18H,5-6H2,(H,15,19)

InChIKey

IMQKBAGAPSFKOB-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.10077 Da
Monoisotopic Mass: 1.2
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]+	256.108046	154.8
[M+Na]+	278.089988	163.7
[M-H]-	254.093494	155.6
[M+NH4]+	273.134593	171.4
[M+K]+	294.063928	158.1
[M+H-H2O]+	238.098030	147.4
[M+HCOO]-	300.098971	174.6
[M+CH3COO]-	314.114621	166.1
[M+Na-2H]-	276.075436	162.1
[M]+	255.10022142	155.2
[M]-	255.10131858	155.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.