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

6
Annotation Hits: 135
References: 15224
Patents: 244.05177 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.059046	155.5
[M+Na]+	267.040988	161.2
[M-H]-	243.044494	157.0
[M+NH4]+	262.085593	172.5
[M+K]+	283.014928	159.0
[M+H-H2O]+	227.049030	149.8
[M+HCOO]-	289.049971	166.1
[M+CH3COO]-	303.065621	182.2
[M+Na-2H]-	265.026436	150.1
[M]+	244.05122142	151.8
[M]-	244.05231858	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe