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 158.2
[M+Na]+ 336.00282 170.6
[M-H]- 312.00632 165.9
[M+NH4]+ 331.04742 180.3
[M+K]+ 351.97676 158.3
[M+H-H2O]+ 296.01086 158.2
[M+HCOO]- 358.01180 176.3
[M+CH3COO]- 372.02745 203.2
[M+Na-2H]- 333.98827 162.5
[M]+ 313.01305 182.0
[M]- 313.01415 182.0
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.