CID 3087497

Brn 4557154

Structural Information

Molecular Formula

C₂₀H₂₀N₂O₂

SMILES

CCOC(=O)N1CCC2=C(C1C3=CC=CC=C3)NC4=CC=CC=C24

InChI

InChI=1S/C20H20N2O2/c1-2-24-20(23)22-13-12-16-15-10-6-7-11-17(15)21-18(16)19(22)14-8-4-3-5-9-14/h3-11,19,21H,2,12-13H2,1H3

InChIKey

ZOVYGEMJOAMYAF-UHFFFAOYSA-N

Compound name

ethyl 1-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 320.15247 Da
Monoisotopic Mass: 3.9
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]+	321.159746	176.4
[M+Na]+	343.141688	184.1
[M-H]-	319.145194	180.9
[M+NH4]+	338.186293	191.0
[M+K]+	359.115628	177.7
[M+H-H2O]+	303.149730	167.1
[M+HCOO]-	365.150671	192.9
[M+CH3COO]-	379.166321	186.4
[M+Na-2H]-	341.127136	179.5
[M]+	320.15192142	176.0
[M]-	320.15301858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe