CID 204158

15832-21-0

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

COC1=C(C=C2C(NCCC2=C1)CC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C20H22N2O2/c1-23-19-10-13-7-8-21-18(16(13)11-20(19)24-2)9-14-12-22-17-6-4-3-5-15(14)17/h3-6,10-12,18,21-22H,7-9H2,1-2H3

InChIKey

XVIUOHLUFLSLMA-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 322.16812 Da
Monoisotopic Mass: 3.4
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]+	323.175396	177.0
[M+Na]+	345.157338	185.1
[M-H]-	321.160844	180.3
[M+NH4]+	340.201943	191.1
[M+K]+	361.131278	177.9
[M+H-H2O]+	305.165380	168.0
[M+HCOO]-	367.166321	192.7
[M+CH3COO]-	381.181971	186.6
[M+Na-2H]-	343.142786	180.1
[M]+	322.16757142	176.6
[M]-	322.16866858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe