CID 85592

16766-09-9

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂S₂

SMILES

CC(=O)NC1=CC=C(C=C1)SSC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C16H16N2O2S2/c1-11(19)17-13-3-7-15(8-4-13)21-22-16-9-5-14(6-10-16)18-12(2)20/h3-10H,1-2H3,(H,17,19)(H,18,20)

InChIKey

XDZOVXPAGVIXBS-UHFFFAOYSA-N

Compound name

N-[4-[(4-acetamidophenyl)disulfanyl]phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 105
Patents: 332.0653 Da
Monoisotopic Mass: 2.4
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]+	333.07258	172.0
[M+Na]+	355.05452	182.6
[M+NH4]+	350.09912	179.8
[M+K]+	371.02846	172.6
[M-H]-	331.05802	176.8
[M+Na-2H]-	353.03997	179.2
[M]+	332.06475	175.7
[M]-	332.06585	175.7

Literature stripe

literature stripe

Patent stripe

patents stripe