CID 42510

Binedaline

Structural Information

Molecular Formula

C₁₉H₂₃N₃

SMILES

CN(C)CCN(C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3/c1-20(2)13-14-21(3)22-15-18(16-9-5-4-6-10-16)17-11-7-8-12-19(17)22/h4-12,15H,13-14H2,1-3H3

InChIKey

SXYFFMXPDDGOEK-UHFFFAOYSA-N

Compound name

N,N,N'-trimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 2270
Patents: 293.1892 Da
Monoisotopic Mass: 4.2
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]+	294.196476	171.1
[M+Na]+	316.178418	178.1
[M-H]-	292.181924	180.2
[M+NH4]+	311.223023	188.7
[M+K]+	332.152358	174.7
[M+H-H2O]+	276.186460	161.5
[M+HCOO]-	338.187401	197.5
[M+CH3COO]-	352.203051	215.6
[M+Na-2H]-	314.163866	175.8
[M]+	293.18865142	175.2
[M]-	293.18974858	175.2

Literature stripe

literature stripe

Patent stripe

patents stripe