CID 65944

Pidotimod

Structural Information

Molecular Formula
C9H12N2O4S
SMILES
C1CC(=O)N[C@@H]1C(=O)N2CSC[C@H]2C(=O)O
InChI
InChI=1S/C9H12N2O4S/c12-7-2-1-5(10-7)8(13)11-4-16-3-6(11)9(14)15/h5-6H,1-4H2,(H,10,12)(H,14,15)/t5-,6-/m0/s1
InChIKey
UUTKICFRNVKFRG-WDSKDSINSA-N
Compound name
(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

136
References

8126
Patents

244.05177 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05905 155.4
[M+Na]+ 267.04099 160.6
[M+NH4]+ 262.08559 160.5
[M+K]+ 283.01493 160.4
[M-H]- 243.04449 153.4
[M+Na-2H]- 265.02644 154.9
[M]+ 244.05122 155.2
[M]- 244.05232 155.2
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