CID 205145

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

Structural Information

Molecular Formula
C15H19BrClNS
SMILES
CCCCN(CCCl)CC1=CSC2=C1C=C(C=C2)Br
InChI
InChI=1S/C15H19BrClNS/c1-2-3-7-18(8-6-17)10-12-11-19-15-5-4-13(16)9-14(12)15/h4-5,9,11H,2-3,6-8,10H2,1H3
InChIKey
SPNISFCRFMSKAJ-UHFFFAOYSA-N
Compound name
N-[(5-bromo-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.01102 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.01830 170.4
[M+Na]+ 382.00024 183.6
[M-H]- 358.00374 179.1
[M+NH4]+ 377.04484 192.4
[M+K]+ 397.97418 169.4
[M+H-H2O]+ 342.00828 170.7
[M+HCOO]- 404.00922 184.7
[M+CH3COO]- 418.02487 212.7
[M+Na-2H]- 379.98569 173.5
[M]+ 359.01047 197.1
[M]- 359.01157 197.1
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.