CID 3046054

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

Structural Information

Molecular Formula
C18H25NOS
SMILES
CCCN(CCC)CCCC(=O)C1=CSC2=CC=CC=C21
InChI
InChI=1S/C18H25NOS/c1-3-11-19(12-4-2)13-7-9-17(20)16-14-21-18-10-6-5-8-15(16)18/h5-6,8,10,14H,3-4,7,9,11-13H2,1-2H3
InChIKey
AYXJOMZOEGCZOV-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-3-yl)-4-(dipropylamino)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16568 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17296 173.4
[M+Na]+ 326.15490 184.3
[M+NH4]+ 321.19950 182.2
[M+K]+ 342.12884 175.9
[M-H]- 302.15840 176.7
[M+Na-2H]- 324.14035 178.4
[M]+ 303.16513 176.4
[M]- 303.16623 176.4
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.