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 169.5
[M+Na]+ 364.03412 181.3
[M-H]- 340.03762 177.1
[M+NH4]+ 359.07872 190.6
[M+K]+ 380.00806 169.1
[M+H-H2O]+ 324.04216 169.6
[M+HCOO]- 386.04310 185.4
[M+CH3COO]- 400.05875 208.5
[M+Na-2H]- 362.01957 173.5
[M]+ 341.04435 193.4
[M]- 341.04545 193.4
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.