CID 23792110

Oprea1_349243

Structural Information

Molecular Formula
C13H12N2O2S
SMILES
C1C(=O)N(C(S1)C2=CN=CC=C2)CC3=CC=CO3
InChI
InChI=1S/C13H12N2O2S/c16-12-9-18-13(10-3-1-5-14-7-10)15(12)8-11-4-2-6-17-11/h1-7,13H,8-9H2
InChIKey
ZLRWMLFECXCALC-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.06195 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06923 156.4
[M+Na]+ 283.05117 165.9
[M-H]- 259.05467 165.3
[M+NH4]+ 278.09577 173.5
[M+K]+ 299.02511 163.4
[M+H-H2O]+ 243.05921 149.5
[M+HCOO]- 305.06015 174.0
[M+CH3COO]- 319.07580 169.4
[M+Na-2H]- 281.03662 156.0
[M]+ 260.06140 158.7
[M]- 260.06250 158.7
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

No patent data available for this compound.