CID 3069093

84298-41-9

Structural Information

Molecular Formula

C₁₆H₂₃N₃

SMILES

CC1CC2=C(CN1)N(C3=CC=CC=C23)CCN(C)C

InChI

InChI=1S/C16H23N3/c1-12-10-14-13-6-4-5-7-15(13)19(9-8-18(2)3)16(14)11-17-12/h4-7,12,17H,8-11H2,1-3H3

InChIKey

VPDPQIQCIHLNHZ-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(3-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-9-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.1892 Da
Monoisotopic Mass: 1.8
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]+	258.196476	162.1
[M+Na]+	280.178418	169.8
[M-H]-	256.181924	164.6
[M+NH4]+	275.223023	180.4
[M+K]+	296.152358	165.0
[M+H-H2O]+	240.186460	153.9
[M+HCOO]-	302.187401	180.6
[M+CH3COO]-	316.203051	173.2
[M+Na-2H]-	278.163866	166.0
[M]+	257.18865142	162.1
[M]-	257.18974858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe