CID 22925703

443965-79-5

Structural Information

Molecular Formula

C₁₄H₁₃NO₃S

SMILES

C1=CC(=CC=C1NC(=O)CSC2=CC=C(C=C2)O)O

InChI

InChI=1S/C14H13NO3S/c16-11-3-1-10(2-4-11)15-14(18)9-19-13-7-5-12(17)6-8-13/h1-8,16-17H,9H2,(H,15,18)

InChIKey

DDEIFJIULQQIBS-UHFFFAOYSA-N

Compound name

N-(4-hydroxyphenyl)-2-(4-hydroxyphenyl)sulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 155
Patents: 275.0616 Da
Monoisotopic Mass: 2.6
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]+	276.068876	159.6
[M+Na]+	298.050818	166.1
[M-H]-	274.054324	163.8
[M+NH4]+	293.095423	174.4
[M+K]+	314.024758	160.9
[M+H-H2O]+	258.058860	152.5
[M+HCOO]-	320.059801	176.6
[M+CH3COO]-	334.075451	193.6
[M+Na-2H]-	296.036266	162.0
[M]+	275.06105142	160.1
[M]-	275.06214858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe