CID 205135

Ethanol, 2-(((5-bromobenzo(b)thien-3-yl)methyl)isopropylamino)-, hydrochloride

Structural Information

Molecular Formula
C14H18BrNOS
SMILES
CCCN(CCO)CC1=CSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C14H18BrNOS/c1-2-5-16(6-7-17)9-11-10-18-14-4-3-12(15)8-13(11)14/h3-4,8,10,17H,2,5-7,9H2,1H3
InChIKey
QFUOLCIBAZXCPH-UHFFFAOYSA-N
Compound name
2-[(5-bromo-1-benzothiophen-3-yl)methyl-propylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.02924 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.03652 158.8
[M+Na]+ 350.01846 161.3
[M+NH4]+ 345.06306 164.4
[M+K]+ 365.99240 160.1
[M-H]- 326.02196 160.4
[M+Na-2H]- 348.00391 161.5
[M]+ 327.02869 158.9
[M]- 327.02979 158.9
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.