CID 4987043

Ab00048146-01

Structural Information

Molecular Formula
C15H15NO3S
SMILES
COC1=CC=C(C=C1)C2N(C(=O)CS2)CC3=CC=CO3
InChI
InChI=1S/C15H15NO3S/c1-18-12-6-4-11(5-7-12)15-16(14(17)10-20-15)9-13-3-2-8-19-13/h2-8,15H,9-10H2,1H3
InChIKey
NFHGTDSDFXDJSJ-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.07727 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08455 164.9
[M+Na]+ 312.06649 174.1
[M-H]- 288.06999 175.2
[M+NH4]+ 307.11109 182.3
[M+K]+ 328.04043 171.7
[M+H-H2O]+ 272.07453 158.7
[M+HCOO]- 334.07547 183.3
[M+CH3COO]- 348.09112 177.9
[M+Na-2H]- 310.05194 163.4
[M]+ 289.07672 169.2
[M]- 289.07782 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.