CID 3058843

75682-24-5

Structural Information

Molecular Formula
C24H30NO3PS2
SMILES
CCOP(=S)(OCC)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/C24H30NO3PS2/c1-4-27-29(30,28-5-2)31-17-16-24(26)18-22(20-12-8-6-9-13-20)25-23(19(24)3)21-14-10-7-11-15-21/h6-15,19,22-23,25-26H,4-5,18H2,1-3H3/t19-,22-,23+,24+/m1/s1
InChIKey
JGCWBLRJTPGJLT-JFTIXFDTSA-N
Compound name
(2S,3R,4S,6R)-4-(2-diethoxyphosphinothioylsulfanylethynyl)-3-methyl-2,6-diphenylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.14047 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.14775 209.6
[M+Na]+ 498.12969 216.2
[M-H]- 474.13319 210.9
[M+NH4]+ 493.17429 216.9
[M+K]+ 514.10363 207.0
[M+H-H2O]+ 458.13773 194.0
[M+HCOO]- 520.13867 214.0
[M+CH3COO]- 534.15432 229.9
[M+Na-2H]- 496.11514 205.1
[M]+ 475.13992 204.1
[M]- 475.14102 204.1
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.