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]+ 476.147746 209.6
[M+Na]+ 498.129688 216.2
[M-H]- 474.133194 210.9
[M+NH4]+ 493.174293 216.9
[M+K]+ 514.103628 207.0
[M+H-H2O]+ 458.137730 194.0
[M+HCOO]- 520.138671 214.0
[M+CH3COO]- 534.154321 229.9
[M+Na-2H]- 496.115136 205.1
[M]+ 475.13992142 204.1
[M]- 475.14101858 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.