CID 202062

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

Structural Information

Molecular Formula
C13H16BrNOS
SMILES
CCN(CCO)CC1=CSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C13H16BrNOS/c1-2-15(5-6-16)8-10-9-17-13-4-3-11(14)7-12(10)13/h3-4,7,9,16H,2,5-6,8H2,1H3
InChIKey
QLDCYLXQWZJOHQ-UHFFFAOYSA-N
Compound name
2-[(5-bromo-1-benzothiophen-3-yl)methyl-ethylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

313.0136 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.02088 154.4
[M+Na]+ 336.00282 157.0
[M+NH4]+ 331.04742 160.1
[M+K]+ 351.97676 156.0
[M-H]- 312.00632 156.0
[M+Na-2H]- 333.98827 157.3
[M]+ 313.01305 154.4
[M]- 313.01415 154.4
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.