CID 4215041

289487-79-2

Structural Information

Molecular Formula

C₁₆H₁₉N₃

SMILES

CN1C=CC=C1CNCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C16H19N3/c1-19-10-4-5-14(19)12-17-9-8-13-11-18-16-7-3-2-6-15(13)16/h2-7,10-11,17-18H,8-9,12H2,1H3

InChIKey

JMDFJNUSALBEDM-UHFFFAOYSA-N

Compound name

2-(1H-indol-3-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.1579 Da
Monoisotopic Mass: 2.3
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]+	254.165176	157.9
[M+Na]+	276.147118	166.4
[M-H]-	252.150624	162.3
[M+NH4]+	271.191723	176.1
[M+K]+	292.121058	160.5
[M+H-H2O]+	236.155160	149.7
[M+HCOO]-	298.156101	181.5
[M+CH3COO]-	312.171751	170.0
[M+Na-2H]-	274.132566	162.2
[M]+	253.15735142	158.9
[M]-	253.15844858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.