CID 23799

7349-50-0

Structural Information

Molecular Formula

C₁₄H₁₅NO₂S

SMILES

C1COCCN1CC(=O)C2=CSC3=CC=CC=C32

InChI

InChI=1S/C14H15NO2S/c16-13(9-15-5-7-17-8-6-15)12-10-18-14-4-2-1-3-11(12)14/h1-4,10H,5-9H2

InChIKey

ILBXVGUTYHDVHL-UHFFFAOYSA-N

Compound name

1-(1-benzothiophen-3-yl)-2-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 261.08234 Da
Monoisotopic Mass: 2.5
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]+	262.089616	156.4
[M+Na]+	284.071558	164.0
[M-H]-	260.075064	163.2
[M+NH4]+	279.116163	173.7
[M+K]+	300.045498	161.3
[M+H-H2O]+	244.079600	149.7
[M+HCOO]-	306.080541	171.3
[M+CH3COO]-	320.096191	168.5
[M+Na-2H]-	282.057006	158.9
[M]+	261.08179142	157.8
[M]-	261.08288858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe