CID 3050084

65747-00-4

Structural Information

Molecular Formula

C₁₉H₂₂N₂

SMILES

CN(C)CCCN1C2=CC=CC=C2C=C1C3=CC=CC=C3

InChI

InChI=1S/C19H22N2/c1-20(2)13-8-14-21-18-12-7-6-11-17(18)15-19(21)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3

InChIKey

VGJISLYBLSRVNP-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(2-phenylindol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 278.17828 Da
Monoisotopic Mass: 4.0
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]+	279.185556	167.2
[M+Na]+	301.167498	175.1
[M-H]-	277.171004	174.9
[M+NH4]+	296.212103	185.2
[M+K]+	317.141438	170.3
[M+H-H2O]+	261.175540	158.2
[M+HCOO]-	323.176481	192.1
[M+CH3COO]-	337.192131	179.6
[M+Na-2H]-	299.152946	172.1
[M]+	278.17773142	170.8
[M]-	278.17882858	170.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe