CID 3076655

Alpha-((2-(4-morpholinyl)ethoxy)methyl)benzo(b)thiophene-5-methanol hydrochloride

Structural Information

Molecular Formula

C₁₆H₂₁NO₃S

SMILES

C1COCCN1CCOCC(C2=CC3=C(C=C2)SC=C3)O

InChI

InChI=1S/C16H21NO3S/c18-15(12-20-9-6-17-4-7-19-8-5-17)13-1-2-16-14(11-13)3-10-21-16/h1-3,10-11,15,18H,4-9,12H2

InChIKey

DMRXPKVEVYNEIE-UHFFFAOYSA-N

Compound name

1-(1-benzothiophen-5-yl)-2-(2-morpholin-4-ylethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.1242 Da
Monoisotopic Mass: 1.6
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]+	308.131476	168.7
[M+Na]+	330.113418	174.3
[M-H]-	306.116924	173.6
[M+NH4]+	325.158023	183.3
[M+K]+	346.087358	171.5
[M+H-H2O]+	290.121460	161.6
[M+HCOO]-	352.122401	181.4
[M+CH3COO]-	366.138051	178.9
[M+Na-2H]-	328.098866	170.1
[M]+	307.12365142	171.0
[M]-	307.12474858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe