CID 3060801

78280-47-4

Structural Information

Molecular Formula

C₂₀H₂₅NOS

SMILES

CC(CN1CCSCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C20H25NOS/c1-17(16-21-12-14-23-15-13-21)20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,17,22H,12-16H2,1H3

InChIKey

QCEAOSYRNYDMPS-UHFFFAOYSA-N

Compound name

2-methyl-1,1-diphenyl-3-thiomorpholin-4-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.16568 Da
Monoisotopic Mass: 3.8
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]+	328.172956	177.4
[M+Na]+	350.154898	179.7
[M-H]-	326.158404	182.5
[M+NH4]+	345.199503	188.8
[M+K]+	366.128838	174.0
[M+H-H2O]+	310.162940	168.5
[M+HCOO]-	372.163881	186.9
[M+CH3COO]-	386.179531	185.3
[M+Na-2H]-	348.140346	178.6
[M]+	327.16513142	172.9
[M]-	327.16622858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.