CID 129909554

Pseuboydone c

Structural Information

Molecular Formula
C19H20N2O3S
SMILES
CS[C@@]1(C(=O)N[C@](C(=O)N1)(CC2=CC=CC=C2)O)CC3=CC=CC=C3
InChI
InChI=1S/C19H20N2O3S/c1-25-19(13-15-10-6-3-7-11-15)17(23)20-18(24,16(22)21-19)12-14-8-4-2-5-9-14/h2-11,24H,12-13H2,1H3,(H,20,23)(H,21,22)/t18-,19-/m1/s1
InChIKey
VSCFRLWLHRBDTH-RTBURBONSA-N
Compound name
(3R,6R)-3,6-dibenzyl-3-hydroxy-6-methylsulfanylpiperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.11948 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12676 182.6
[M+Na]+ 379.10870 189.1
[M-H]- 355.11220 185.1
[M+NH4]+ 374.15330 194.5
[M+K]+ 395.08264 181.8
[M+H-H2O]+ 339.11674 174.3
[M+HCOO]- 401.11768 191.4
[M+CH3COO]- 415.13333 190.4
[M+Na-2H]- 377.09415 184.8
[M]+ 356.11893 179.4
[M]- 356.12003 179.4
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.