CID 3046045

1-butanone, 1-benzo(b)thien-2-yl-4-(4-morpholinyl)-, hydrochloride

Structural Information

Molecular Formula
C16H19NO2S
SMILES
C1COCCN1CCCC(=O)C2=CC3=CC=CC=C3S2
InChI
InChI=1S/C16H19NO2S/c18-14(5-3-7-17-8-10-19-11-9-17)16-12-13-4-1-2-6-15(13)20-16/h1-2,4,6,12H,3,5,7-11H2
InChIKey
XXIUVRLEQDULAB-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-yl)-4-morpholin-4-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.11365 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12093 165.4
[M+Na]+ 312.10287 172.1
[M-H]- 288.10637 171.8
[M+NH4]+ 307.14747 181.6
[M+K]+ 328.07681 169.0
[M+H-H2O]+ 272.11091 158.3
[M+HCOO]- 334.11185 179.7
[M+CH3COO]- 348.12750 176.6
[M+Na-2H]- 310.08832 166.9
[M]+ 289.11310 167.5
[M]- 289.11420 167.5
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