CID 204598

Benzo(b)thiophene-3-methylamine, n-(2-chloroethyl)-n-isopropyl-6-methyl-, hydrochloride

Structural Information

Molecular Formula
C15H20ClNS
SMILES
CC1=CC2=C(C=C1)C(=CS2)CN(CCCl)C(C)C
InChI
InChI=1S/C15H20ClNS/c1-11(2)17(7-6-16)9-13-10-18-15-8-12(3)4-5-14(13)15/h4-5,8,10-11H,6-7,9H2,1-3H3
InChIKey
FLETWBHZFOWLBI-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-[(6-methyl-1-benzothiophen-3-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1005 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.10778 164.3
[M+Na]+ 304.08972 177.4
[M+NH4]+ 299.13432 174.7
[M+K]+ 320.06366 168.5
[M-H]- 280.09322 168.5
[M+Na-2H]- 302.07517 170.4
[M]+ 281.09995 168.3
[M]- 281.10105 168.3
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.