CID 317663

38262-57-6

Structural Information

Molecular Formula

C₂₀H₁₆N₂S₂

SMILES

C1=CC=C2C(=C1)C=CC(=C2N)SSC3=C(C4=CC=CC=C4C=C3)N

InChI

InChI=1S/C20H16N2S2/c21-19-15-7-3-1-5-13(15)9-11-17(19)23-24-18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12H,21-22H2

InChIKey

LCXOEQDSHXTPFA-UHFFFAOYSA-N

Compound name

2-[(1-aminonaphthalen-2-yl)disulfanyl]naphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 348.0755 Da
Monoisotopic Mass: 5.2
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]+	349.08278	171.2
[M+Na]+	371.06472	187.8
[M+NH4]+	366.10932	182.6
[M+K]+	387.03866	173.9
[M-H]-	347.06822	180.1
[M+Na-2H]-	369.05017	181.9
[M]+	348.07495	177.5
[M]-	348.07605	177.5

Literature stripe

literature stripe

Patent stripe

patents stripe