CID 205141

Benzo(b)thiophene-3-methylamine, 5-chloro-n-(2-chloroethyl)-n-isopropyl-, hydrochloride

Structural Information

Molecular Formula
C14H17Cl2NS
SMILES
CC(C)N(CCCl)CC1=CSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C14H17Cl2NS/c1-10(2)17(6-5-15)8-11-9-18-14-4-3-12(16)7-13(11)14/h3-4,7,9-10H,5-6,8H2,1-2H3
InChIKey
LMWOWUKTMXZPPH-UHFFFAOYSA-N
Compound name
N-[(5-chloro-1-benzothiophen-3-yl)methyl]-N-(2-chloroethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.04587 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05315 167.6
[M+Na]+ 324.03509 177.4
[M-H]- 300.03859 173.4
[M+NH4]+ 319.07969 188.4
[M+K]+ 340.00903 171.5
[M+H-H2O]+ 284.04313 163.1
[M+HCOO]- 346.04407 178.0
[M+CH3COO]- 360.05972 206.6
[M+Na-2H]- 322.02054 167.6
[M]+ 301.04532 176.3
[M]- 301.04642 176.3
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.