CID 205151

Ethanol, 2-(tert-butyl((5-fluorobenzo(b)thien-3-yl)methyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C15H20FNOS
SMILES
CC(C)(C)N(CCO)CC1=CSC2=C1C=C(C=C2)F
InChI
InChI=1S/C15H20FNOS/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
HFDGUXRLIFKVDS-UHFFFAOYSA-N
Compound name
2-[tert-butyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12497 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13225 164.7
[M+Na]+ 304.11419 173.3
[M-H]- 280.11769 168.4
[M+NH4]+ 299.15879 184.5
[M+K]+ 320.08813 169.4
[M+H-H2O]+ 264.12223 158.2
[M+HCOO]- 326.12317 181.7
[M+CH3COO]- 340.13882 202.5
[M+Na-2H]- 302.09964 166.7
[M]+ 281.12442 169.4
[M]- 281.12552 169.4
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.