CID 23799

Benzo(b)thien-3-yl morpholinomethyl ketone hydrochloride

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

0
Patents

261.08234 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08962 156.4
[M+Na]+ 284.07156 164.0
[M-H]- 260.07506 163.2
[M+NH4]+ 279.11616 173.7
[M+K]+ 300.04550 161.3
[M+H-H2O]+ 244.07960 149.7
[M+HCOO]- 306.08054 171.3
[M+CH3COO]- 320.09619 168.5
[M+Na-2H]- 282.05701 158.9
[M]+ 261.08179 157.8
[M]- 261.08289 157.8
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