CID 204594

Benzo(b)thiophene-3-methylamine, n-benzyl-n-(2-chloroethyl)-5-methyl-, hydrochloride

Structural Information

Molecular Formula
C19H20ClNS
SMILES
CC1=CC2=C(C=C1)SC=C2CN(CCCl)CC3=CC=CC=C3
InChI
InChI=1S/C19H20ClNS/c1-15-7-8-19-18(11-15)17(14-22-19)13-21(10-9-20)12-16-5-3-2-4-6-16/h2-8,11,14H,9-10,12-13H2,1H3
InChIKey
PMZANGRIMNLKNB-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-[(5-methyl-1-benzothiophen-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1005 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10778 176.0
[M+Na]+ 352.08972 191.8
[M+NH4]+ 347.13432 187.2
[M+K]+ 368.06366 180.7
[M-H]- 328.09322 183.3
[M+Na-2H]- 350.07517 185.7
[M]+ 329.09995 181.5
[M]- 329.10105 181.5
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.