CID 3046058

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

Structural Information

Molecular Formula
C16H19NOS
SMILES
C1CCN(C1)CCCC(=O)C2=CSC3=CC=CC=C32
InChI
InChI=1S/C16H19NOS/c18-15(7-5-11-17-9-3-4-10-17)14-12-19-16-8-2-1-6-13(14)16/h1-2,6,8,12H,3-5,7,9-11H2
InChIKey
BNCOSBRZCSNZQI-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-4-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11874 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 163.0
[M+Na]+ 296.10796 174.5
[M+NH4]+ 291.15256 172.5
[M+K]+ 312.08190 168.2
[M-H]- 272.11146 166.7
[M+Na-2H]- 294.09341 168.7
[M]+ 273.11819 166.1
[M]- 273.11929 166.1
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.