CID 5012916

Ab00004314-01

Structural Information

Molecular Formula
C15H15NO2S
SMILES
CC1=CC=CC=C1C2N(C(=O)CS2)CC3=CC=CO3
InChI
InChI=1S/C15H15NO2S/c1-11-5-2-3-7-13(11)15-16(14(17)10-19-15)9-12-6-4-8-18-12/h2-8,15H,9-10H2,1H3
InChIKey
GRFOMFZNCRSIKS-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethyl)-2-(2-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.08234 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 161.7
[M+Na]+ 296.07156 171.2
[M-H]- 272.07506 172.0
[M+NH4]+ 291.11616 179.9
[M+K]+ 312.04550 168.3
[M+H-H2O]+ 256.07960 155.6
[M+HCOO]- 318.08054 179.9
[M+CH3COO]- 332.09619 174.9
[M+Na-2H]- 294.05701 160.0
[M]+ 273.08179 164.6
[M]- 273.08289 164.6
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.