CID 2910106

2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

Structural Information

Molecular Formula

C₂₂H₂₂N₄OS

SMILES

CN(C)N1C2=C(C(C(=C1N)C#N)C3=CC=CS3)C(=O)CC(C2)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-25(2)26-17-11-15(14-7-4-3-5-8-14)12-18(27)21(17)20(16(13-23)22(26)24)19-9-6-10-28-19/h3-10,15,20H,11-12,24H2,1-2H3

InChIKey

VRYLDPPYHTVCMC-UHFFFAOYSA-N

Compound name

2-amino-1-(dimethylamino)-5-oxo-7-phenyl-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 390.15143 Da
Monoisotopic Mass: 3.5
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]+	391.158706	201.6
[M+Na]+	413.140648	211.4
[M-H]-	389.144154	209.5
[M+NH4]+	408.185253	213.4
[M+K]+	429.114588	202.8
[M+H-H2O]+	373.148690	186.5
[M+HCOO]-	435.149631	213.3
[M+CH3COO]-	449.165281	209.2
[M+Na-2H]-	411.126096	198.0
[M]+	390.15088142	195.9
[M]-	390.15197858	195.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.