CID 33313

26106-01-4

Structural Information

Molecular Formula
C18H21NS
SMILES
CNCCCC1(C2=CC=CC=C2CS1)C3=CC=CC=C3
InChI
InChI=1S/C18H21NS/c1-19-13-7-12-18(16-9-3-2-4-10-16)17-11-6-5-8-15(17)14-20-18/h2-6,8-11,19H,7,12-14H2,1H3
InChIKey
RKDPYRQUOYOJDA-UHFFFAOYSA-N
Compound name
N-methyl-3-(1-phenyl-3H-2-benzothiophen-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13947 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14675 165.5
[M+Na]+ 306.12869 178.4
[M+NH4]+ 301.17329 177.7
[M+K]+ 322.10263 166.6
[M-H]- 282.13219 171.9
[M+Na-2H]- 304.11414 175.3
[M]+ 283.13892 170.0
[M]- 283.14002 170.0
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.