CID 33311

26106-00-3

Structural Information

Molecular Formula
C19H23NS
SMILES
CN(C)CCCC1(C2=CC=CC=C2CS1)C3=CC=CC=C3
InChI
InChI=1S/C19H23NS/c1-20(2)14-8-13-19(17-10-4-3-5-11-17)18-12-7-6-9-16(18)15-21-19/h3-7,9-12H,8,13-15H2,1-2H3
InChIKey
GWHYIRJMUOSPCX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

297.15512 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.16240 171.1
[M+Na]+ 320.14434 177.7
[M-H]- 296.14784 179.5
[M+NH4]+ 315.18894 192.0
[M+K]+ 336.11828 173.1
[M+H-H2O]+ 280.15238 163.8
[M+HCOO]- 342.15332 189.5
[M+CH3COO]- 356.16897 182.8
[M+Na-2H]- 318.12979 173.4
[M]+ 297.15457 173.8
[M]- 297.15567 173.8
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.