CID 204561

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

Structural Information

Molecular Formula
C18H18BrNOS
SMILES
C1=CC=C(C=C1)CN(CCO)CC2=CSC3=C2C=C(C=C3)Br
InChI
InChI=1S/C18H18BrNOS/c19-16-6-7-18-17(10-16)15(13-22-18)12-20(8-9-21)11-14-4-2-1-3-5-14/h1-7,10,13,21H,8-9,11-12H2
InChIKey
XRHMIUKXXABBLJ-UHFFFAOYSA-N
Compound name
2-[benzyl-[(5-bromo-1-benzothiophen-3-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.02924 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.03652 168.9
[M+Na]+ 398.01846 173.2
[M+NH4]+ 393.06306 175.0
[M+K]+ 413.99240 170.9
[M-H]- 374.02196 172.9
[M+Na-2H]- 396.00391 174.4
[M]+ 375.02869 170.1
[M]- 375.02979 170.1
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.