CID 204582

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

Structural Information

Molecular Formula
C14H18ClNS
SMILES
CC(C)N(CCCl)CC1=CSC2=CC=CC=C21
InChI
InChI=1S/C14H18ClNS/c1-11(2)16(8-7-15)9-12-10-17-14-6-4-3-5-13(12)14/h3-6,10-11H,7-9H2,1-2H3
InChIKey
PJBKUNGUVDIMMG-UHFFFAOYSA-N
Compound name
N-(1-benzothiophen-3-ylmethyl)-N-(2-chloroethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08484 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09212 161.2
[M+Na]+ 290.07406 170.0
[M-H]- 266.07756 167.4
[M+NH4]+ 285.11866 182.8
[M+K]+ 306.04800 165.3
[M+H-H2O]+ 250.08210 155.8
[M+HCOO]- 312.08304 176.8
[M+CH3COO]- 326.09869 201.2
[M+Na-2H]- 288.05951 162.6
[M]+ 267.08429 168.7
[M]- 267.08539 168.7
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.