CID 3088201

Brn 4524330

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂

SMILES

COC1=CC=C(C=C1)NC2=C(C=C3CCCCC3=N2)C(=O)N

InChI

InChI=1S/C17H19N3O2/c1-22-13-8-6-12(7-9-13)19-17-14(16(18)21)10-11-4-2-3-5-15(11)20-17/h6-10H,2-5H2,1H3,(H2,18,21)(H,19,20)

InChIKey

UFCUUUOCZUWLPY-UHFFFAOYSA-N

Compound name

2-(4-methoxyanilino)-5,6,7,8-tetrahydroquinoline-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 297.14774 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]+	298.155016	168.1
[M+Na]+	320.136958	173.5
[M-H]-	296.140464	173.3
[M+NH4]+	315.181563	181.8
[M+K]+	336.110898	169.3
[M+H-H2O]+	280.145000	158.8
[M+HCOO]-	342.145941	188.0
[M+CH3COO]-	356.161591	209.2
[M+Na-2H]-	318.122406	172.6
[M]+	297.14719142	164.9
[M]-	297.14828858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.