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 162.8
[M+Na]+ 350.01846 174.7
[M-H]- 326.02196 170.2
[M+NH4]+ 345.06306 184.3
[M+K]+ 365.99240 162.2
[M+H-H2O]+ 310.02650 162.5
[M+HCOO]- 372.02744 180.5
[M+CH3COO]- 386.04309 205.9
[M+Na-2H]- 348.00391 166.5
[M]+ 327.02869 186.9
[M]- 327.02979 186.9
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.