CID 204549

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

Structural Information

Molecular Formula
C18H18ClNOS
SMILES
C1=CC=C(C=C1)CN(CCO)CC2=CSC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNOS/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
QLGWFQQHLDVQMU-UHFFFAOYSA-N
Compound name
2-[benzyl-[(5-chloro-1-benzothiophen-3-yl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.07977 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.08705 174.8
[M+Na]+ 354.06899 189.8
[M+NH4]+ 349.11359 185.2
[M+K]+ 370.04293 179.7
[M-H]- 330.07249 181.1
[M+Na-2H]- 352.05444 183.7
[M]+ 331.07922 179.7
[M]- 331.08032 179.7
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.