CID 94743

Bis[p-[dimethylamino]phenyl]disulfide

Structural Information

Molecular Formula

C₁₆H₂₀N₂S₂

SMILES

CN(C)C1=CC=C(C=C1)SSC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C16H20N2S2/c1-17(2)13-5-9-15(10-6-13)19-20-16-11-7-14(8-12-16)18(3)4/h5-12H,1-4H3

InChIKey

KKCFDYUJPVROAI-UHFFFAOYSA-N

Compound name

4-[[4-(dimethylamino)phenyl]disulfanyl]-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 41
Patents: 304.10678 Da
Monoisotopic Mass: 4.3
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]+	305.11406	166.2
[M+Na]+	327.09600	178.8
[M+NH4]+	322.14060	176.4
[M+K]+	343.06994	167.3
[M-H]-	303.09950	173.6
[M+Na-2H]-	325.08145	175.5
[M]+	304.10623	171.3
[M]-	304.10733	171.3

Literature stripe

literature stripe

Patent stripe

patents stripe