CID 204551

Benzo(b)thiophene-3-methylamine, 5-bromo-n-(2-chloroethyl)-n-isopropyl-, hydrochloride

Structural Information

Molecular Formula
C14H17BrClNS
SMILES
CC(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C14H17BrClNS/c1-10(2)17(6-5-16)8-11-9-18-14-4-3-12(15)7-13(11)14/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKey
XRMSZJSMVKDRNE-UHFFFAOYSA-N
Compound name
N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.99536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.00264 160.6
[M+Na]+ 367.98458 164.4
[M+NH4]+ 363.02918 167.1
[M+K]+ 383.95852 162.4
[M-H]- 343.98808 163.0
[M+Na-2H]- 365.97003 164.0
[M]+ 344.99481 161.5
[M]- 344.99591 161.5
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.