CID 3055780

72973-00-3

Structural Information

Molecular Formula
C22H26NO4PS
SMILES
C[C@@H]1[C@H](N[C@H](C[C@]1(C#CSP(=O)(OC)OC)O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H26NO4PS/c1-17-21(19-12-8-5-9-13-19)23-20(18-10-6-4-7-11-18)16-22(17,24)14-15-29-28(25,26-2)27-3/h4-13,17,20-21,23-24H,16H2,1-3H3/t17-,20-,21+,22+/m1/s1
InChIKey
LUODZAIJYPMANO-GFRNBQLOSA-N
Compound name
(2S,3R,4S,6R)-4-(2-dimethoxyphosphorylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13202 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13930 191.8
[M+Na]+ 454.12124 202.4
[M+NH4]+ 449.16584 195.4
[M+K]+ 470.09518 190.3
[M-H]- 430.12474 186.7
[M+Na-2H]- 452.10669 196.2
[M]+ 431.13147 191.5
[M]- 431.13257 191.5
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.