CID 33014

Talsupram

Structural Information

Molecular Formula
C20H25NS
SMILES
CC1(C2=CC=CC=C2C(S1)(CCCNC)C3=CC=CC=C3)C
InChI
InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
InChIKey
FKHYYOUFMJBLAF-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1-phenyl-2-benzothiophen-1-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

2558
Patents

311.17078 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17806 173.0
[M+Na]+ 334.16000 185.9
[M+NH4]+ 329.20460 186.3
[M+K]+ 350.13394 172.3
[M-H]- 310.16350 179.3
[M+Na-2H]- 332.14545 183.8
[M]+ 311.17023 177.7
[M]- 311.17133 177.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe