CID 204565

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

Structural Information

Molecular Formula
C15H20BrNOS
SMILES
CC(C)(C)N(CCO)CC1=CSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C15H20BrNOS/c1-15(2,3)17(6-7-18)9-11-10-19-14-5-4-12(16)8-13(11)14/h4-5,8,10,18H,6-7,9H2,1-3H3
InChIKey
WDWXQYCJOOTUCV-UHFFFAOYSA-N
Compound name
2-[(5-bromo-1-benzothiophen-3-yl)methyl-tert-butylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0449 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05218 163.8
[M+Na]+ 364.03412 165.8
[M+NH4]+ 359.07872 169.1
[M+K]+ 380.00806 165.5
[M-H]- 340.03762 164.9
[M+Na-2H]- 362.01957 166.2
[M]+ 341.04435 163.7
[M]- 341.04545 163.7
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.