CID 218280

40431-44-5

Structural Information

Molecular Formula

C₁₉H₂₆N₂O₂

SMILES

CCCCN1C2=C(CN(CC2)C)C3=C1C=CC(=C3)C(=O)OCC

InChI

InChI=1S/C19H26N2O2/c1-4-6-10-21-17-8-7-14(19(22)23-5-2)12-15(17)16-13-20(3)11-9-18(16)21/h7-8,12H,4-6,9-11,13H2,1-3H3

InChIKey

XXSWDZZXBRTVNV-UHFFFAOYSA-N

Compound name

ethyl 5-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 314.19943 Da
Monoisotopic Mass: 3.3
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]+	315.206706	178.4
[M+Na]+	337.188648	186.6
[M-H]-	313.192154	180.9
[M+NH4]+	332.233253	194.8
[M+K]+	353.162588	181.8
[M+H-H2O]+	297.196690	170.1
[M+HCOO]-	359.197631	195.3
[M+CH3COO]-	373.213281	210.1
[M+Na-2H]-	335.174096	179.4
[M]+	314.19888142	182.5
[M]-	314.19997858	182.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.