CID 55312

2-(4-morpholinyl)ethyl benzo(b)thiophene-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C15H17NO3S
SMILES
C1COCCN1CCOC(=O)C2=CSC3=CC=CC=C32
InChI
InChI=1S/C15H17NO3S/c17-15(19-10-7-16-5-8-18-9-6-16)13-11-20-14-4-2-1-3-12(13)14/h1-4,11H,5-10H2
InChIKey
MCADRKPBCHSBRK-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 1-benzothiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09293 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 163.6
[M+Na]+ 314.08215 175.8
[M+NH4]+ 309.12675 172.3
[M+K]+ 330.05609 169.0
[M-H]- 290.08565 168.3
[M+Na-2H]- 312.06760 169.2
[M]+ 291.09238 167.2
[M]- 291.09348 167.2
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

No patent data available for this compound.