CID 3033341

Tinofedrine hcl

Structural Information

Molecular Formula
C20H21NOS2
SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)NCC=C(C2=CSC=C2)C3=CSC=C3
InChI
InChI=1S/C20H21NOS2/c1-15(20(22)16-5-3-2-4-6-16)21-10-7-19(17-8-11-23-13-17)18-9-12-24-14-18/h2-9,11-15,20-22H,10H2,1H3/t15-,20-/m0/s1
InChIKey
JQSHEDRVRBSFCZ-YWZLYKJASA-N
Compound name
(1R,2S)-2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

688
Patents

355.10645 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11373 180.2
[M+Na]+ 378.09567 190.1
[M+NH4]+ 373.14027 188.9
[M+K]+ 394.06961 182.7
[M-H]- 354.09917 185.9
[M+Na-2H]- 376.08112 187.9
[M]+ 355.10590 184.1
[M]- 355.10700 184.1
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