CID 4589881

311320-33-9

Structural Information

Molecular Formula

C₂₄H₂₃N₃O₂

SMILES

CC1=CC(=CC=C1)N2C3=C(C(C(=C2N)C#N)C4=CC=C(C=C4)OC)C(=O)CCC3

InChI

InChI=1S/C24H23N3O2/c1-15-5-3-6-17(13-15)27-20-7-4-8-21(28)23(20)22(19(14-25)24(27)26)16-9-11-18(29-2)12-10-16/h3,5-6,9-13,22H,4,7-8,26H2,1-2H3

InChIKey

NOCYVDILDSUTKL-UHFFFAOYSA-N

Compound name

2-amino-4-(4-methoxyphenyl)-1-(3-methylphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 385.17902 Da
Monoisotopic Mass: 4.0
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]+	386.186296	199.6
[M+Na]+	408.168238	209.5
[M-H]-	384.171744	205.7
[M+NH4]+	403.212843	208.8
[M+K]+	424.142178	199.8
[M+H-H2O]+	368.176280	182.9
[M+HCOO]-	430.177221	213.1
[M+CH3COO]-	444.192871	206.7
[M+Na-2H]-	406.153686	198.4
[M]+	385.17847142	192.0
[M]-	385.17956858	192.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.