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 175.6
[M+Na]+ 354.06899 184.8
[M-H]- 330.07249 183.7
[M+NH4]+ 349.11359 193.8
[M+K]+ 370.04293 178.0
[M+H-H2O]+ 314.07703 169.3
[M+HCOO]- 376.07797 191.4
[M+CH3COO]- 390.09362 187.5
[M+Na-2H]- 352.05444 177.8
[M]+ 331.07922 182.8
[M]- 331.08032 182.8
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.