CID 3379824

3-(4-aminobutyl)-1,3-thiazolidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C7H12N2O2S
SMILES
C1C(=O)N(C(=O)S1)CCCCN
InChI
InChI=1S/C7H12N2O2S/c8-3-1-2-4-9-6(10)5-12-7(9)11/h1-5,8H2
InChIKey
NDVCULYQRPVLGL-UHFFFAOYSA-N
Compound name
3-(4-aminobutyl)-1,3-thiazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

188.06195 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 141.8
[M+Na]+ 211.05117 149.6
[M+NH4]+ 206.09577 148.9
[M+K]+ 227.02511 144.6
[M-H]- 187.05467 141.8
[M+Na-2H]- 209.03662 143.4
[M]+ 188.06140 142.8
[M]- 188.06250 142.8
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

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