CID 5360730

Gpa 127

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

CC1=C2C(=CC(=N1)C(=O)N)C3=CC=CC=C3N2

InChI

InChI=1S/C13H11N3O/c1-7-12-9(6-11(15-7)13(14)17)8-4-2-3-5-10(8)16-12/h2-6,16H,1H3,(H2,14,17)

InChIKey

WWOQNKXXDOLCLH-UHFFFAOYSA-N

Compound name

1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 225.09021 Da
Monoisotopic Mass: 1.9
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]+	226.09749	148.2
[M+Na]+	248.07943	162.0
[M+NH4]+	243.12403	156.5
[M+K]+	264.05337	157.3
[M-H]-	224.08293	150.2
[M+Na-2H]-	246.06488	154.0
[M]+	225.08966	150.6
[M]-	225.09076	150.6

Literature stripe

literature stripe

Patent stripe

patents stripe