CID 175189

72828-74-1

Structural Information

Molecular Formula

C₂₀H₂₀N₃

SMILES

CC1CC2=CC=CC=C2N1N=CC3=CC=[N+](C4=CC=CC=C34)C

InChI

InChI=1S/C20H20N3/c1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20/h3-12,14-15H,13H2,1-2H3/q+1

InChIKey

ODXWFQKMQCQBLG-UHFFFAOYSA-N

Compound name

N-(2-methyl-2,3-dihydroindol-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 302.1657 Da
Monoisotopic Mass: 4.5
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]+	303.172976	175.4
[M+Na]+	325.154918	184.2
[M-H]-	301.158424	182.9
[M+NH4]+	320.199523	191.8
[M+K]+	341.128858	172.1
[M+H-H2O]+	285.162960	167.9
[M+HCOO]-	347.163901	196.1
[M+CH3COO]-	361.179551	204.7
[M+Na-2H]-	323.140366	182.4
[M]+	302.16515142	174.9
[M]-	302.16624858	174.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe