CID 3046056

1-butanone, 1-benzo(b)thien-3-yl-4-(bis(1-methylethyl)amino)-, hydrobromide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16568 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17296 173.0
[M+Na]+ 326.15490 183.1
[M+NH4]+ 321.19950 181.6
[M+K]+ 342.12884 176.4
[M-H]- 302.15840 175.9
[M+Na-2H]- 324.14035 177.5
[M]+ 303.16513 175.7
[M]- 303.16623 175.7
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.