CID 205153

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

Structural Information

Molecular Formula
C18H18FNOS
SMILES
C1=CC=C(C=C1)CN(CCO)CC2=CSC3=C2C=C(C=C3)F
InChI
InChI=1S/C18H18FNOS/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
LJJZDVWVKDPESO-UHFFFAOYSA-N
Compound name
2-[benzyl-[(5-fluoro-1-benzothiophen-3-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1093 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11658 170.6
[M+Na]+ 338.09852 183.6
[M+NH4]+ 333.14312 179.9
[M+K]+ 354.07246 174.7
[M-H]- 314.10202 175.2
[M+Na-2H]- 336.08397 178.7
[M]+ 315.10875 174.3
[M]- 315.10985 174.3
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.