CID 487289

8-(2-pyridylthio)-5-quinolylamine

Structural Information

Molecular Formula

C₁₄H₁₁N₃S

SMILES

C1=CC=NC(=C1)SC2=C3C(=C(C=C2)N)C=CC=N3

InChI

InChI=1S/C14H11N3S/c15-11-6-7-12(14-10(11)4-3-9-17-14)18-13-5-1-2-8-16-13/h1-9H,15H2

InChIKey

OMMZHMAUELPDFW-UHFFFAOYSA-N

Compound name

8-pyridin-2-ylsulfanylquinolin-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 253.06737 Da
Monoisotopic Mass: 2.8
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]+	254.07465	153.0
[M+Na]+	276.05659	162.9
[M-H]-	252.06009	157.8
[M+NH4]+	271.10119	168.6
[M+K]+	292.03053	156.3
[M+H-H2O]+	236.06463	144.6
[M+HCOO]-	298.06557	170.1
[M+CH3COO]-	312.08122	165.0
[M+Na-2H]-	274.04204	159.9
[M]+	253.06682	153.4
[M]-	253.06792	153.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.