CID 3054303

71079-84-0

Structural Information

Molecular Formula

C₁₉H₂₀ClN₅S

SMILES

C1CCC(CC1)N=C(NC2=C3C=CC(=CC3=NC=C2)Cl)NC4=NC=CS4

InChI

InChI=1S/C19H20ClN5S/c20-13-6-7-15-16(8-9-21-17(15)12-13)24-18(25-19-22-10-11-26-19)23-14-4-2-1-3-5-14/h6-12,14H,1-5H2,(H2,21,22,23,24,25)

InChIKey

GXGLKEVEEXFXIV-UHFFFAOYSA-N

Compound name

1-(7-chloroquinolin-4-yl)-2-cyclohexyl-3-(1,3-thiazol-2-yl)guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 385.1128 Da
Monoisotopic Mass: 4.6
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]+	386.120076	184.6
[M+Na]+	408.102018	191.0
[M-H]-	384.105524	193.2
[M+NH4]+	403.146623	197.2
[M+K]+	424.075958	183.6
[M+H-H2O]+	368.110060	175.0
[M+HCOO]-	430.111001	198.2
[M+CH3COO]-	444.126651	193.8
[M+Na-2H]-	406.087466	188.3
[M]+	385.11225142	184.8
[M]-	385.11334858	184.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.