CID 33315

26106-03-6

Structural Information

Molecular Formula
C20H25NS
SMILES
CC1C2=CC=CC=C2C(S1)(CCCN(C)C)C3=CC=CC=C3
InChI
InChI=1S/C20H25NS/c1-16-18-12-7-8-13-19(18)20(22-16,14-9-15-21(2)3)17-10-5-4-6-11-17/h4-8,10-13,16H,9,14-15H2,1-3H3
InChIKey
PASZPNPHSXICAN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-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

311.17078 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.178056 175.0
[M+Na]+ 334.159998 182.1
[M-H]- 310.163504 183.7
[M+NH4]+ 329.204603 195.7
[M+K]+ 350.133938 177.3
[M+H-H2O]+ 294.168040 167.9
[M+HCOO]- 356.168981 193.1
[M+CH3COO]- 370.184631 186.7
[M+Na-2H]- 332.145446 176.3
[M]+ 311.17023142 178.5
[M]- 311.17132858 178.5
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.