CID 205143

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

Structural Information

Molecular Formula
C15H19Cl2NS
SMILES
CC(C)(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C15H19Cl2NS/c1-15(2,3)18(7-6-16)9-11-10-19-14-5-4-12(17)8-13(11)14/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey
POZGWYHJWRRNBA-UHFFFAOYSA-N
Compound name
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.06152 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06880 174.7
[M+Na]+ 338.05074 188.3
[M+NH4]+ 333.09534 184.9
[M+K]+ 354.02468 178.8
[M-H]- 314.05424 178.2
[M+Na-2H]- 336.03619 180.6
[M]+ 315.06097 178.9
[M]- 315.06207 178.9
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.