CID 204567

Benzo(b)thiophene-3-methylamine, n-benzyl-5-chloro-n-(2-chloroethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H17Cl2NS
SMILES
C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C18H17Cl2NS/c19-8-9-21(11-14-4-2-1-3-5-14)12-15-13-22-18-7-6-16(20)10-17(15)18/h1-7,10,13H,8-9,11-12H2
InChIKey
WLAWAGMHBCJOBE-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-[(5-chloro-1-benzothiophen-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.04587 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.05315 179.3
[M+Na]+ 372.03509 195.8
[M+NH4]+ 367.07969 190.5
[M+K]+ 388.00903 184.0
[M-H]- 348.03859 186.2
[M+Na-2H]- 370.02054 188.8
[M]+ 349.04532 185.0
[M]- 349.04642 185.0
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.