CID 204600

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

Structural Information

Molecular Formula
C16H22ClNS
SMILES
CC1=CC2=C(C=C1)C(=CS2)CN(CCCl)C(C)(C)C
InChI
InChI=1S/C16H22ClNS/c1-12-5-6-14-13(11-19-15(14)9-12)10-18(8-7-17)16(2,3)4/h5-6,9,11H,7-8,10H2,1-4H3
InChIKey
HGHFLWOFSWMGHA-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-methyl-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

295.11615 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.12343 171.1
[M+Na]+ 318.10537 184.0
[M+NH4]+ 313.14997 181.2
[M+K]+ 334.07931 175.2
[M-H]- 294.10887 174.9
[M+Na-2H]- 316.09082 177.1
[M]+ 295.11560 175.0
[M]- 295.11670 175.0
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.