CID 16206231

Dtxsid50907419

Structural Information

Molecular Formula

C₁₇H₁₉NOS

SMILES

C1CSCC(N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C17H19NOS/c19-17(14-7-3-1-4-8-14,15-9-5-2-6-10-15)16-13-20-12-11-18-16/h1-10,16,18-19H,11-13H2

InChIKey

GPUDMEJGSKJMFR-UHFFFAOYSA-N

Compound name

diphenyl(thiomorpholin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.11874 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]+	286.126016	164.5
[M+Na]+	308.107958	168.1
[M-H]-	284.111464	168.8
[M+NH4]+	303.152563	177.0
[M+K]+	324.081898	161.7
[M+H-H2O]+	268.116000	156.4
[M+HCOO]-	330.116941	174.6
[M+CH3COO]-	344.132591	173.2
[M+Na-2H]-	306.093406	167.9
[M]+	285.11819142	157.8
[M]-	285.11928858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe