CID 364142

Nsc629813

Structural Information

Molecular Formula

C₁₈H₁₅N₃

SMILES

C1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC4=C3C=CN=C4

InChI

InChI=1S/C18H15N3/c1-2-4-13(5-3-1)11-20-14-6-7-17-16(10-14)15-8-9-19-12-18(15)21-17/h1-10,12,20-21H,11H2

InChIKey

QLFFRGDGVGTTAT-UHFFFAOYSA-N

Compound name

N-benzyl-9H-pyrido[3,4-b]indol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 273.1266 Da
Monoisotopic Mass: 4.6
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]+	274.13388	160.1
[M+Na]+	296.11582	169.3
[M-H]-	272.11932	165.1
[M+NH4]+	291.16042	176.3
[M+K]+	312.08976	161.6
[M+H-H2O]+	256.12386	151.0
[M+HCOO]-	318.12480	181.8
[M+CH3COO]-	332.14045	171.7
[M+Na-2H]-	294.10127	169.1
[M]+	273.12605	159.6
[M]-	273.12715	159.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.