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]+ 312.17806 175.0
[M+Na]+ 334.16000 182.1
[M-H]- 310.16350 183.7
[M+NH4]+ 329.20460 195.7
[M+K]+ 350.13394 177.3
[M+H-H2O]+ 294.16804 167.9
[M+HCOO]- 356.16898 193.1
[M+CH3COO]- 370.18463 186.7
[M+Na-2H]- 332.14545 176.3
[M]+ 311.17023 178.5
[M]- 311.17133 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.