CID 205137

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

Structural Information

Molecular Formula
C18H17ClFNS
SMILES
C1=CC=C(C=C1)CN(CCCl)CC2=CSC3=C2C=C(C=C3)F
InChI
InChI=1S/C18H17ClFNS/c19-8-9-21(11-14-4-2-1-3-5-14)12-15-13-22-18-7-6-16(20)10-17(15)18/h1-7,10,13H,8-9,11-12H2
InChIKey
GYLUPKDEJRKMPS-UHFFFAOYSA-N
Compound name
N-benzyl-2-chloro-N-[(5-fluoro-1-benzothiophen-3-yl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.07544 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.08272 173.2
[M+Na]+ 356.06466 188.0
[M+NH4]+ 351.10926 183.6
[M+K]+ 372.03860 177.4
[M-H]- 332.06816 178.8
[M+Na-2H]- 354.05011 182.3
[M]+ 333.07489 177.9
[M]- 333.07599 177.9
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.