CID 3058842

75682-23-4

Structural Information

Molecular Formula
C22H26NO3PS2
SMILES
C[C@@H]1[C@H](N[C@H](C[C@]1(C#CSP(=S)(OC)OC)O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26NO3PS2/c1-17-21(19-12-8-5-9-13-19)23-20(18-10-6-4-7-11-18)16-22(17,24)14-15-29-27(28,25-2)26-3/h4-13,17,20-21,23-24H,16H2,1-3H3/t17-,20-,21+,22+/m1/s1
InChIKey
PXVVHWBLEJFLTM-GFRNBQLOSA-N
Compound name
(2S,3R,4S,6R)-4-(2-dimethoxyphosphinothioylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.10916 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.11644 185.0
[M+Na]+ 470.09838 195.3
[M+NH4]+ 465.14298 189.4
[M+K]+ 486.07232 181.9
[M-H]- 446.10188 180.6
[M+Na-2H]- 468.08383 189.9
[M]+ 447.10861 185.4
[M]- 447.10971 185.4
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.