CID 5747899

Rs 0481

Structural Information

Molecular Formula
C19H20N2O2S
SMILES
C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2CSCN2C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H20N2O2S/c1-14(15-8-4-2-5-9-15)20-18(22)17-12-24-13-21(17)19(23)16-10-6-3-7-11-16/h2-11,14,17H,12-13H2,1H3,(H,20,22)/t14-,17+/m1/s1
InChIKey
MEXWLVVJOPSWLN-PBHICJAKSA-N
Compound name
(4R)-3-benzoyl-N-[(1R)-1-phenylethyl]-1,3-thiazolidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

340.12454 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13182 178.7
[M+Na]+ 363.11376 189.1
[M+NH4]+ 358.15836 186.2
[M+K]+ 379.08770 182.7
[M-H]- 339.11726 183.7
[M+Na-2H]- 361.09921 186.2
[M]+ 340.12399 181.8
[M]- 340.12509 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe