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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13148 168.7
[M+Na]+ 330.11342 174.3
[M-H]- 306.11692 173.6
[M+NH4]+ 325.15802 183.3
[M+K]+ 346.08736 171.5
[M+H-H2O]+ 290.12146 161.6
[M+HCOO]- 352.12240 181.4
[M+CH3COO]- 366.13805 178.9
[M+Na-2H]- 328.09887 170.1
[M]+ 307.12365 171.0
[M]- 307.12475 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe