CID 33319

26106-08-1

Structural Information

Molecular Formula
C19H23NS
SMILES
CC1C2=CC=CC=C2C(S1)(CCCNC)C3=CC=CC=C3
InChI
InChI=1S/C19H23NS/c1-15-17-11-6-7-12-18(17)19(21-15,13-8-14-20-2)16-9-4-3-5-10-16/h3-7,9-12,15,20H,8,13-14H2,1-2H3
InChIKey
GZQKZWZLUSGILS-UHFFFAOYSA-N
Compound name
N-methyl-3-(3-methyl-1-phenyl-3H-2-benzothiophen-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.15512 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 169.8
[M+Na]+ 320.14434 182.9
[M+NH4]+ 315.18894 181.9
[M+K]+ 336.11828 171.0
[M-H]- 296.14784 176.2
[M+Na-2H]- 318.12979 179.2
[M]+ 297.15457 174.3
[M]- 297.15567 174.3
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.