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]+ 282.107776 167.1
[M+Na]+ 304.089718 176.2
[M-H]- 280.093224 173.3
[M+NH4]+ 299.134323 188.4
[M+K]+ 320.063658 171.2
[M+H-H2O]+ 264.097760 161.8
[M+HCOO]- 326.098701 181.9
[M+CH3COO]- 340.114351 203.1
[M+Na-2H]- 302.075166 169.8
[M]+ 281.09995142 174.9
[M]- 281.10104858 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.