CID 3058844

75682-25-6

Structural Information

Molecular Formula
C26H34NO3PS2
SMILES
CCCOP(=S)(OCCC)SC#C[C@@]1(C[C@@H](N[C@@H]([C@H]1C)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C26H34NO3PS2/c1-4-17-29-31(32,30-18-5-2)33-19-16-26(28)20-24(22-12-8-6-9-13-22)27-25(21(26)3)23-14-10-7-11-15-23/h6-15,21,24-25,27-28H,4-5,17-18,20H2,1-3H3/t21-,24-,25+,26+/m1/s1
InChIKey
XLNKFOVGVMNMOO-AFQFEXIYSA-N
Compound name
(2S,3R,4S,6R)-4-(2-dipropoxyphosphinothioylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.17178 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.17906 199.3
[M+Na]+ 526.16100 208.9
[M+NH4]+ 521.20560 203.1
[M+K]+ 542.13494 194.7
[M-H]- 502.16450 194.7
[M+Na-2H]- 524.14645 203.5
[M]+ 503.17123 199.5
[M]- 503.17233 199.5
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.