CID 3046051

1-butanone, 1-benzo(b)thien-3-yl-4-(diethylamino)-, hydrobromide

Structural Information

Molecular Formula
C16H21NOS
SMILES
CCN(CC)CCCC(=O)C1=CSC2=CC=CC=C21
InChI
InChI=1S/C16H21NOS/c1-3-17(4-2)11-7-9-15(18)14-12-19-16-10-6-5-8-13(14)16/h5-6,8,10,12H,3-4,7,9,11H2,1-2H3
InChIKey
AQAVFNXIVQPNMN-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-4-(diethylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1344 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14168 164.6
[M+Na]+ 298.12362 175.9
[M+NH4]+ 293.16822 173.8
[M+K]+ 314.09756 167.9
[M-H]- 274.12712 168.0
[M+Na-2H]- 296.10907 170.1
[M]+ 275.13385 167.6
[M]- 275.13495 167.6
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.