CID 204586

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

Structural Information

Molecular Formula
C15H20ClNS
SMILES
CC(C)(C)N(CCCl)CC1=CSC2=CC=CC=C21
InChI
InChI=1S/C15H20ClNS/c1-15(2,3)17(9-8-16)10-12-11-18-14-7-5-4-6-13(12)14/h4-7,11H,8-10H2,1-3H3
InChIKey
IAHJPZZNZWDFHL-UHFFFAOYSA-N
Compound name
N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)-2-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1005 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10778 167.1
[M+Na]+ 304.08972 176.2
[M-H]- 280.09322 173.3
[M+NH4]+ 299.13432 188.4
[M+K]+ 320.06366 171.2
[M+H-H2O]+ 264.09776 161.8
[M+HCOO]- 326.09870 181.9
[M+CH3COO]- 340.11435 203.1
[M+Na-2H]- 302.07517 169.8
[M]+ 281.09995 174.9
[M]- 281.10105 174.9
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.